2-(4-chlorophenyl)-4-[4-(diphenylmethyl)piperazin-4-ium-1-yl]quinazoline

Systemtic Name: 2-(4-chlorophenyl)-4-[4-(diphenylmethyl)piperazin-4-ium-1-yl]quinazoline Openeye Name: 4-(4-benzhydrylpiperazin-4-ium-1-yl)-2-(4-chlorophenyl)quinazoline CAS Name: 2-(4-chlorophenyl)-4-[4-(diphenylmethyl)-1-piperazin-4-iumyl]quinazoline IUPAC Name: 4-(4-benzhydrylpiperazin-4-ium-1-yl)-2-(4-chlorophenyl)quinazoline Traditional Name: 4-(4-benzhydrylpiperazin-4-ium-1-yl)-2-(4-chlorophenyl)quinazoline Formula: C31H28ClN4+ MolecularWeight: 492.03382

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C4=NC(=NC5=CC=CC=C54)C6=CC=C(C=C6)Cl

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C4=NC(=NC5=CC=CC=C54)C6=CC=C(C=C6)Cl

InChI

InChI=1S/C31H27ClN4/c32-26-17-15-25(16-18-26)30-33-28-14-8-7-13-27(28)31(34-30)36-21-19-35(20-22-36)29(23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-18,29H,19-22H2/p+1