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

Systemtic Name: 4-(7-chloranyl-1H-quinolin-4-ylidene)-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]cyclohexa-2,5-dien-1-one Openeye Name: 4-(7-chloro-1H-quinolin-4-ylidene)-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]cyclohexa-2,5-dien-1-one CAS Name: 4-(7-chloro-1H-quinolin-4-ylidene)-2-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-1-cyclohexa-2,5-dienone IUPAC Name: 4-(7-chloro-1H-quinolin-4-ylidene)-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]cyclohexa-2,5-dien-1-one Traditional Name: 4-(7-chloro-1H-quinolin-4-ylidene)-2-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]cyclohexa-2,5-dien-1-one Formula: C24H23ClN5O+ MolecularWeight: 432.92532

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=C3C=CNC4=C3C=CC(=C4)Cl)C=CC2=O)C5=NC=CC=N5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=C3C=CNC4=C3C=CC(=C4)Cl)C=CC2=O)C5=NC=CC=N5

InChI

InChI=1S/C24H22ClN5O/c25-19-3-4-21-20(6-9-26-22(21)15-19)17-2-5-23(31)18(14-17)16-29-10-12-30(13-11-29)24-27-7-1-8-28-24/h1-9,14-15,26H,10-13,16H2/p+1