4-(6-methoxy-1H-pyridin-2-ylidene)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)cyclohexa-2,5-dien-1-one

Systemtic Name: 4-(6-methoxy-1H-pyridin-2-ylidene)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)cyclohexa-2,5-dien-1-one Openeye Name: 4-(6-methoxy-1H-pyridin-2-ylidene)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)cyclohexa-2,5-dien-1-one CAS Name: 4-(6-methoxy-1H-pyridin-2-ylidene)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1-cyclohexa-2,5-dienone IUPAC Name: 4-(6-methoxy-1H-pyridin-2-ylidene)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)cyclohexa-2,5-dien-1-one Traditional Name: 4-(6-methoxy-1H-pyridin-2-ylidene)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)cyclohexa-2,5-dien-1-one Formula: C22H23N2O2+ MolecularWeight: 347.43022

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C2C=CC(=O)C(=C2)C[NH+]3CCC4=CC=CC=C4C3)N1

Isomeric SMILES

COC1=CC=CC(=C2C=CC(=O)C(=C2)C[NH+]3CCC4=CC=CC=C4C3)N1

InChI

InChI=1S/C22H22N2O2/c1-26-22-8-4-7-20(23-22)17-9-10-21(25)19(13-17)15-24-12-11-16-5-2-3-6-18(16)14-24/h2-10,13,23H,11-12,14-15H2,1H3/p+1