4-[(4-methoxyphenyl)amino]-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one

Systemtic Name: 4-[(4-methoxyphenyl)amino]-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one Openeye Name: 4-(4-methoxyanilino)-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one CAS Name: 4-(4-methoxyanilino)-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-7,8-dihydro-6H-quinazolin-5-one IUPAC Name: 4-(4-methoxyanilino)-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one Traditional Name: 4-(p-anisidino)-2-(4-pyridin-1-ium-2-ylpiperazino)-7,8-dihydro-6H-quinazolin-5-one Formula: C24H27N6O2+ MolecularWeight: 431.51018

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=NC(=NC3=C2C(=O)CCC3)N4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

COC1=CC=C(C=C1)NC2=NC(=NC3=C2C(=O)CCC3)N4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C24H26N6O2/c1-32-18-10-8-17(9-11-18)26-23-22-19(5-4-6-20(22)31)27-24(28-23)30-15-13-29(14-16-30)21-7-2-3-12-25-21/h2-3,7-12H,4-6,13-16H2,1H3,(H,26,27,28)/p+1