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

Systemtic Name: 4-(6-methoxy-1H-pyridin-2-ylidene)-2-[(4-oxidanylpiperidin-1-ium-1-yl)methyl]cyclohexa-2,5-dien-1-one Openeye Name: 2-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-4-(6-methoxy-1H-pyridin-2-ylidene)cyclohexa-2,5-dien-1-one CAS Name: 2-[(4-hydroxy-1-piperidin-1-iumyl)methyl]-4-(6-methoxy-1H-pyridin-2-ylidene)-1-cyclohexa-2,5-dienone IUPAC Name: 2-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-4-(6-methoxy-1H-pyridin-2-ylidene)cyclohexa-2,5-dien-1-one Traditional Name: 2-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-4-(6-methoxy-1H-pyridin-2-ylidene)cyclohexa-2,5-dien-1-one Formula: C18H23N2O3+ MolecularWeight: 315.38682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O3/c1-23-18-4-2-3-16(19-18)13-5-6-17(22)14(11-13)12-20-9-7-15(21)8-10-20/h2-6,11,15,19,21H,7-10,12H2,1H3/p+1