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

Systemtic Name: 4-(7-chloranyl-1H-quinolin-4-ylidene)-2-(piperidin-1-ium-1-ylmethyl)cyclohexa-2,5-dien-1-one Openeye Name: 4-(7-chloro-1H-quinolin-4-ylidene)-2-(piperidin-1-ium-1-ylmethyl)cyclohexa-2,5-dien-1-one CAS Name: 4-(7-chloro-1H-quinolin-4-ylidene)-2-(1-piperidin-1-iumylmethyl)-1-cyclohexa-2,5-dienone IUPAC Name: 4-(7-chloro-1H-quinolin-4-ylidene)-2-(piperidin-1-ium-1-ylmethyl)cyclohexa-2,5-dien-1-one Traditional Name: 4-(7-chloro-1H-quinolin-4-ylidene)-2-(piperidin-1-ium-1-ylmethyl)cyclohexa-2,5-dien-1-one Formula: C21H22ClN2O+ MolecularWeight: 353.86518

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC(=C3C=CNC4=C3C=CC(=C4)Cl)C=CC2=O

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC(=C3C=CNC4=C3C=CC(=C4)Cl)C=CC2=O

InChI

InChI=1S/C21H21ClN2O/c22-17-5-6-19-18(8-9-23-20(19)13-17)15-4-7-21(25)16(12-15)14-24-10-2-1-3-11-24/h4-9,12-13,23H,1-3,10-11,14H2/p+1