(7S)-7-(4-chlorophenyl)-4-methyl-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]-7,8-dihydro-6H-quinazolin-5-one

Systemtic Name: (7S)-7-(4-chlorophenyl)-4-methyl-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]-7,8-dihydro-6H-quinazolin-5-one Openeye Name: (7S)-2-(4-benzylpiperazin-4-ium-1-yl)-7-(4-chlorophenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one CAS Name: (7S)-7-(4-chlorophenyl)-4-methyl-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]-7,8-dihydro-6H-quinazolin-5-one IUPAC Name: (7S)-2-(4-benzylpiperazin-4-ium-1-yl)-7-(4-chlorophenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one Traditional Name: (7S)-2-(4-benzylpiperazin-4-ium-1-yl)-7-(4-chlorophenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one Formula: C26H28ClN4O+ MolecularWeight: 447.97972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=C1C(=O)CC(C2)C3=CC=C(C=C3)Cl)N4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=NC(=NC2=C1C(=O)C[C@H](C2)C3=CC=C(C=C3)Cl)N4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C26H27ClN4O/c1-18-25-23(15-21(16-24(25)32)20-7-9-22(27)10-8-20)29-26(28-18)31-13-11-30(12-14-31)17-19-5-3-2-4-6-19/h2-10,21H,11-17H2,1H3/p+1/t21-/m0/s1