4-(6-methoxy-1H-pyridin-2-ylidene)-2-[(4-phenylpiperidin-1-ium-1-yl)methyl]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-(6-methoxy-1H-pyridin-2-ylidene)-2-[(4-phenylpiperidin-1-ium-1-yl)methyl]cyclohexa-2,5-dien-1-one Openeye Name: 4-(6-methoxy-1H-pyridin-2-ylidene)-2-[(4-phenylpiperidin-1-ium-1-yl)methyl]cyclohexa-2,5-dien-1-one CAS Name: 4-(6-methoxy-1H-pyridin-2-ylidene)-2-[(4-phenyl-1-piperidin-1-iumyl)methyl]-1-cyclohexa-2,5-dienone IUPAC Name: 4-(6-methoxy-1H-pyridin-2-ylidene)-2-[(4-phenylpiperidin-1-ium-1-yl)methyl]cyclohexa-2,5-dien-1-one Traditional Name: 4-(6-methoxy-1H-pyridin-2-ylidene)-2-[(4-phenylpiperidin-1-ium-1-yl)methyl]cyclohexa-2,5-dien-1-one Formula: C24H27N2O2+ MolecularWeight: 375.48338

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C2C=CC(=O)C(=C2)C[NH+]3CCC(CC3)C4=CC=CC=C4)N1

Isomeric SMILES

COC1=CC=CC(=C2C=CC(=O)C(=C2)C[NH+]3CCC(CC3)C4=CC=CC=C4)N1

InChI

InChI=1S/C24H26N2O2/c1-28-24-9-5-8-22(25-24)20-10-11-23(27)21(16-20)17-26-14-12-19(13-15-26)18-6-3-2-4-7-18/h2-11,16,19,25H,12-15,17H2,1H3/p+1