ethyl 4-[[3-(7-chloranyl-1H-quinolin-4-ylidene)-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[[3-(7-chloranyl-1H-quinolin-4-ylidene)-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[[3-(7-chloro-1H-quinolin-4-ylidene)-6-oxo-cyclohexa-1,4-dien-1-yl]methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[[3-(7-chloro-1H-quinolin-4-ylidene)-6-oxo-1-cyclohexa-1,4-dienyl]methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[3-(7-chloro-1H-quinolin-4-ylidene)-6-oxocyclohexa-1,4-dien-1-yl]methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[[3-(7-chloro-1H-quinolin-4-ylidene)-6-keto-cyclohexa-1,4-dien-1-yl]methyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C23H25ClN3O3+ MolecularWeight: 426.9159

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC2=CC(=C3C=CNC4=C3C=CC(=C4)Cl)C=CC2=O

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC2=CC(=C3C=CNC4=C3C=CC(=C4)Cl)C=CC2=O

InChI

InChI=1S/C23H24ClN3O3/c1-2-30-23(29)27-11-9-26(10-12-27)15-17-13-16(3-6-22(17)28)19-7-8-25-21-14-18(24)4-5-20(19)21/h3-8,13-14,25H,2,9-12,15H2,1H3/p+1