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Molecule : EXN

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C20H20N2O/c1-3-22-18-9-6-14(13-21-2)11-17(18)16-8-7-15(12-19(16)22)20-5-4-10-23-20/h4-12,21H,3,13H2,1-2H3/p+1
2	InChIKey	InChI	1.03	UTFNBBWDJPFLJT-UHFFFAOYSA-O
3	SMILES	CACTVS	3.385	CCn1c2ccc(C[NH2+]C)cc2c3ccc(cc13)c4occc4
4	SMILES	OpenEye OEToolkits	2.0.6	CCn1c2ccc(cc2c3c1cc(cc3)c4ccco4)C[NH2+]C
5	Canonical SMILES	CACTVS	3.385	CCn1c2ccc(C[NH2+]C)cc2c3ccc(cc13)c4occc4
6	Canonical SMILES	OpenEye OEToolkits	2.0.6	CCn1c2ccc(cc2c3c1cc(cc3)c4ccco4)C[NH2+]C