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

Systemtic Name: 1-[1-[4-(3-methylphenyl)piperazin-1-yl]propan-2-yl]-1-phenyl-2,3-dihydroquinazolin-1-ium-4-one Openeye Name: 1-[1-methyl-2-[4-(m-tolyl)piperazin-1-yl]ethyl]-1-phenyl-2,3-dihydroquinazolin-1-ium-4-one CAS Name: 1-[1-[4-(3-methylphenyl)-1-piperazinyl]propan-2-yl]-1-phenyl-2,3-dihydroquinazolin-1-ium-4-one IUPAC Name: 1-[1-[4-(3-methylphenyl)piperazin-1-yl]propan-2-yl]-1-phenyl-2,3-dihydroquinazolin-1-ium-4-one Traditional Name: 1-[1-methyl-2-[4-(m-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=C1)N2CCN(CC2)CC(C)[N+]3(CNC(=O)C4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)CC(C)[N+]3(CNC(=O)C4=CC=CC=C43)C5=CC=CC=C5

InChI

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