6,7-dimethoxy-1-[(4-methylphenyl)methyl]-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]quinolin-2-one

Systemtic Name: 6,7-dimethoxy-1-[(4-methylphenyl)methyl]-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]quinolin-2-one Openeye Name: 6,7-dimethoxy-1-(p-tolylmethyl)-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]quinolin-2-one CAS Name: 6,7-dimethoxy-1-[(4-methylphenyl)methyl]-3-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-2-quinolinone IUPAC Name: 6,7-dimethoxy-1-[(4-methylphenyl)methyl]-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]quinolin-2-one Traditional Name: 6,7-dimethoxy-1-(4-methylbenzyl)-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]carbostyril Formula: C29H34N4O3+2 MolecularWeight: 486.60526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=CC(=C(C=C3C=C(C2=O)C[NH+]4CCN(CC4)C5=CC=CC=[NH+]5)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=CC(=C(C=C3C=C(C2=O)C[NH+]4CCN(CC4)C5=CC=CC=[NH+]5)OC)OC

InChI

InChI=1S/C29H32N4O3/c1-21-7-9-22(10-8-21)19-33-25-18-27(36-3)26(35-2)17-23(25)16-24(29(33)34)20-31-12-14-32(15-13-31)28-6-4-5-11-30-28/h4-11,16-18H,12-15,19-20H2,1-3H3/p+2