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

Systemtic Name: (3S)-1-[[3-(6-methoxy-1H-pyridin-2-ylidene)-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[[3-(6-methoxy-1H-pyridin-2-ylidene)-6-oxo-cyclohexa-1,4-dien-1-yl]methyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[[3-(6-methoxy-1H-pyridin-2-ylidene)-6-oxo-1-cyclohexa-1,4-dienyl]methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[[3-(6-methoxy-1H-pyridin-2-ylidene)-6-oxocyclohexa-1,4-dien-1-yl]methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[[6-keto-3-(6-methoxy-1H-pyridin-2-ylidene)cyclohexa-1,4-dien-1-yl]methyl]piperidin-1-ium-3-carboxamide Formula: C19H24N3O3+ MolecularWeight: 342.41216

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C2C=CC(=O)C(=C2)C[NH+]3CCCC(C3)C(=O)N)N1

Isomeric SMILES

COC1=CC=CC(=C2C=CC(=O)C(=C2)C[NH+]3CCC[C@@H](C3)C(=O)N)N1

InChI

InChI=1S/C19H23N3O3/c1-25-18-6-2-5-16(21-18)13-7-8-17(23)15(10-13)12-22-9-3-4-14(11-22)19(20)24/h2,5-8,10,14,21H,3-4,9,11-12H2,1H3,(H2,20,24)/p+1/t14-/m0/s1