(3S)-1-[[3-(2-methyl-1H-quinolin-4-ylidene)-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]methyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[[3-(2-methyl-1H-quinolin-4-ylidene)-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[[3-(2-methyl-1H-quinolin-4-ylidene)-6-oxo-cyclohexa-1,4-dien-1-yl]methyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[[3-(2-methyl-1H-quinolin-4-ylidene)-6-oxo-1-cyclohexa-1,4-dienyl]methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[[3-(2-methyl-1H-quinolin-4-ylidene)-6-oxocyclohexa-1,4-dien-1-yl]methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[[6-keto-3-(2-methyl-1H-quinolin-4-ylidene)cyclohexa-1,4-dien-1-yl]methyl]piperidin-1-ium-3-carboxamide Formula: C23H26N3O2+ MolecularWeight: 376.47144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=CC(=O)C(=C2)C[NH+]3CCCC(C3)C(=O)N)C4=CC=CC=C4N1

Isomeric SMILES

CC1=CC(=C2C=CC(=O)C(=C2)C[NH+]3CCC[C@@H](C3)C(=O)N)C4=CC=CC=C4N1

InChI

InChI=1S/C23H25N3O2/c1-15-11-20(19-6-2-3-7-21(19)25-15)16-8-9-22(27)18(12-16)14-26-10-4-5-17(13-26)23(24)28/h2-3,6-9,11-12,17,25H,4-5,10,13-14H2,1H3,(H2,24,28)/p+1/t17-/m0/s1