3-(4-fluorophenyl)-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-4aH-quinazolin-3-ium-4-one

Systemtic Name: 3-(4-fluorophenyl)-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-4aH-quinazolin-3-ium-4-one Openeye Name: 3-(4-fluorophenyl)-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-4aH-quinazolin-3-ium-4-one CAS Name: 3-(4-fluorophenyl)-2-[[4-(2-methoxyphenyl)-1-piperazinyl]methyl]-4aH-quinazolin-3-ium-4-one IUPAC Name: 3-(4-fluorophenyl)-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-4aH-quinazolin-3-ium-4-one Traditional Name: 3-(4-fluorophenyl)-2-[[4-(2-methoxyphenyl)piperazino]methyl]-4aH-quinazolin-3-ium-4-one Formula: C26H26FN4O2+ MolecularWeight: 445.508643

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CC3=[N+](C(=O)C4C=CC=CC4=N3)C5=CC=C(C=C5)F

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)CC3=[N+](C(=O)C4C=CC=CC4=N3)C5=CC=C(C=C5)F

InChI

InChI=1S/C26H26FN4O2/c1-33-24-9-5-4-8-23(24)30-16-14-29(15-17-30)18-25-28-22-7-3-2-6-21(22)26(32)31(25)20-12-10-19(27)11-13-20/h2-13,21H,14-18H2,1H3/q+1