4-(7-chloranyl-1H-quinolin-4-ylidene)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)cyclohexa-2,5-dien-1-one

Systemtic Name: 4-(7-chloranyl-1H-quinolin-4-ylidene)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)cyclohexa-2,5-dien-1-one Openeye Name: 4-(7-chloro-1H-quinolin-4-ylidene)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)cyclohexa-2,5-dien-1-one CAS Name: 4-(7-chloro-1H-quinolin-4-ylidene)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1-cyclohexa-2,5-dienone IUPAC Name: 4-(7-chloro-1H-quinolin-4-ylidene)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)cyclohexa-2,5-dien-1-one Traditional Name: 4-(7-chloro-1H-quinolin-4-ylidene)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)cyclohexa-2,5-dien-1-one Formula: C25H22ClN2O+ MolecularWeight: 401.90798

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CC3=CC(=C4C=CNC5=C4C=CC(=C5)Cl)C=CC3=O

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CC3=CC(=C4C=CNC5=C4C=CC(=C5)Cl)C=CC3=O

InChI

InChI=1S/C25H21ClN2O/c26-21-6-7-23-22(9-11-27-24(23)14-21)18-5-8-25(29)20(13-18)16-28-12-10-17-3-1-2-4-19(17)15-28/h1-9,11,13-14,27H,10,12,15-16H2/p+1