4-(7-chloranyl-1H-quinolin-4-ylidene)-2-[(4-methylpiperazin-4-ium-1-yl)methyl]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-(7-chloranyl-1H-quinolin-4-ylidene)-2-[(4-methylpiperazin-4-ium-1-yl)methyl]cyclohexa-2,5-dien-1-one Openeye Name: 4-(7-chloro-1H-quinolin-4-ylidene)-2-[(4-methylpiperazin-4-ium-1-yl)methyl]cyclohexa-2,5-dien-1-one CAS Name: 4-(7-chloro-1H-quinolin-4-ylidene)-2-[(4-methyl-1-piperazin-4-iumyl)methyl]-1-cyclohexa-2,5-dienone IUPAC Name: 4-(7-chloro-1H-quinolin-4-ylidene)-2-[(4-methylpiperazin-4-ium-1-yl)methyl]cyclohexa-2,5-dien-1-one Traditional Name: 4-(7-chloro-1H-quinolin-4-ylidene)-2-[(4-methylpiperazin-4-ium-1-yl)methyl]cyclohexa-2,5-dien-1-one Formula: C21H23ClN3O+ MolecularWeight: 368.87982

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CC2=CC(=C3C=CNC4=C3C=CC(=C4)Cl)C=CC2=O

Isomeric SMILES

C[NH+]1CCN(CC1)CC2=CC(=C3C=CNC4=C3C=CC(=C4)Cl)C=CC2=O

InChI

InChI=1S/C21H22ClN3O/c1-24-8-10-25(11-9-24)14-16-12-15(2-5-21(16)26)18-6-7-23-20-13-17(22)3-4-19(18)20/h2-7,12-13,23H,8-11,14H2,1H3/p+1