1-[1-[4-(2-methylphenyl)piperazin-1-yl]propan-2-yl]-1-phenyl-2,3-dihydroquinazolin-1-ium-4-one

Systemtic Name: 1-[1-[4-(2-methylphenyl)piperazin-1-yl]propan-2-yl]-1-phenyl-2,3-dihydroquinazolin-1-ium-4-one Openeye Name: 1-[1-methyl-2-[4-(o-tolyl)piperazin-1-yl]ethyl]-1-phenyl-2,3-dihydroquinazolin-1-ium-4-one CAS Name: 1-[1-[4-(2-methylphenyl)-1-piperazinyl]propan-2-yl]-1-phenyl-2,3-dihydroquinazolin-1-ium-4-one IUPAC Name: 1-[1-[4-(2-methylphenyl)piperazin-1-yl]propan-2-yl]-1-phenyl-2,3-dihydroquinazolin-1-ium-4-one Traditional Name: 1-[1-methyl-2-[4-(o-tolyl)piperazino]ethyl]-1-phenyl-2,3-dihydroquinazolin-1-ium-4-one Formula: C28H33N4O+ MolecularWeight: 441.58782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)CC(C)[N+]3(CNC(=O)C4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)CC(C)[N+]3(CNC(=O)C4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C28H32N4O/c1-22-10-6-8-14-26(22)31-18-16-30(17-19-31)20-23(2)32(24-11-4-3-5-12-24)21-29-28(33)25-13-7-9-15-27(25)32/h3-15,23H,16-21H2,1-2H3/p+1