Ketcher 06262013442D 1 1.00000 0.00000 0 29 33 0 1 0 999 V2000 10.9794 -27.9255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1305 -27.9255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7061 -28.6607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1305 -29.3959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9794 -29.3959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4040 -28.6607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1717 -28.0009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3792 -28.3051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4236 -29.1528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2437 -29.3727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1391 -29.0852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8744 -28.6607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6096 -29.0852 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8744 -27.8117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8284 -27.9255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1538 -28.4197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8838 -29.1528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8838 -30.6193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1538 -31.3525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4236 -30.6193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1235 -29.8558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1235 -30.7047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8587 -29.4313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3881 -29.4313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3447 -28.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0800 -29.0851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8152 -28.6607 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.0800 -29.9341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8152 -29.5096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 6 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 3 10 1 6 0 0 3 7 1 1 0 0 6 11 1 1 0 0 11 12 1 0 0 0 12 13 1 0 0 0 12 14 2 0 0 0 6 15 1 6 0 0 16 17 1 0 0 0 17 18 1 0 0 0 18 19 1 0 0 0 19 20 1 0 0 0 21 22 1 0 0 0 21 23 1 0 0 0 21 24 1 0 0 0 16 24 1 0 0 0 22 18 1 0 0 0 23 20 1 0 0 0 20 9 1 0 0 0 16 9 1 0 0 0 13 25 1 0 0 0 25 26 1 0 0 0 26 27 1 0 0 0 26 28 1 0 0 0 26 29 1 0 0 0 M CHG 1 27 1 M END > CHEBI:155928 > arterolane(1+) > A primary ammonium ion that is the conjugate acid of arterolane, resulting from the protonation of the primary amino group. Major species at pH 7.3. > 3 > arterolane cation > 1-{2-[(1s,4s)-dispiro[cyclohexane-1,3'-[1,2,4]trioxolane-5',2''-tricyclo[3.3.1.1(3,7)]decan]-4-yl]acetamido}-2-methylpropan-2-aminium > C22H37N2O4 > 393.547 > 393.27478 > 1 > C1C[C@]2(CC[C@@]1(CC(NCC([NH3+])(C)C)=O)[H])OC3(OO2)C4CC5CC3CC(C5)C4 > InChI=1S/C22H36N2O4/c1-20(2,23)13-24-19(25)12-14-3-5-21(6-4-14)26-22(28-27-21)17-8-15-7-16(10-17)11-18(22)9-15/h14-18H,3-13,23H2,1-2H3,(H,24,25)/p+1/t14-,15?,16?,17?,18?,21+,22? > VXYZBLXGCYNIHP-MMNSZCNZSA-O $$$$