Marvin 03231210572D 22 25 0 0 0 0 999 V2000 13.5002 -3.9676 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.5003 -3.1414 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.0829 -2.5588 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.0830 -4.5457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9091 -4.5457 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.4872 -3.9676 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.4871 -3.1414 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 14.9091 -2.5587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2015 -2.7300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2017 -4.3801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9162 -3.9675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9161 -3.1424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7859 -2.7288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0714 -3.1413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0713 -3.9663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7857 -4.3789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7851 -5.2039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5003 -2.3164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4872 -4.7926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9387 -3.4690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8694 -1.7619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3216 -5.2602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 1 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 7 8 1 0 0 0 0 8 3 1 0 0 0 0 6 10 1 0 0 0 0 7 6 1 0 0 0 0 9 7 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 9 12 1 0 0 0 0 13 2 1 0 0 0 0 1 2 1 0 0 0 0 16 1 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 2 18 1 1 0 0 0 6 19 1 6 0 0 0 3 20 1 1 0 0 0 5 20 1 1 0 0 0 3 21 1 0 0 0 0 5 22 1 0 0 0 0 M CHG 1 7 1 M END > CHEBI:64261 > lupanine(1+) > An organic cation that is the conjugate acid of lupanine, arising from protonation of the tertiary amino function; major species at pH 7.3. > 3 > lupaninium; lupanine > 2-oxospartein-16-ium > C15H25N2O > 249.37180 > 249.19614 > 1 > [H][C@]12CN3C(=O)CCC[C@]3([H])[C@]([H])(C[NH+]3CCCC[C@@]13[H])C2 > InChI=1S/C15H24N2O/c18-15-6-3-5-14-11-8-12(10-17(14)15)13-4-1-2-7-16(13)9-11/h11-14H,1-10H2/p+1/t11-,12-,13-,14+/m0/s1 > JYIJIIVLEOETIQ-XDQVBPFNSA-O > CPD-8917 $$$$