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

Systemtic Name: 4-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-(2-fluorophenyl)quinazoline Openeye Name: 4-(4-benzhydrylpiperazin-4-ium-1-yl)-2-(2-fluorophenyl)quinazoline CAS Name: 4-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-2-(2-fluorophenyl)quinazoline IUPAC Name: 4-(4-benzhydrylpiperazin-4-ium-1-yl)-2-(2-fluorophenyl)quinazoline Traditional Name: 4-(4-benzhydrylpiperazin-4-ium-1-yl)-2-(2-fluorophenyl)quinazoline Formula: C31H28FN4+ MolecularWeight: 475.579223

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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=CC=C6F

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C4=NC(=NC5=CC=CC=C54)C6=CC=CC=C6F

InChI

InChI=1S/C31H27FN4/c32-27-17-9-7-15-25(27)30-33-28-18-10-8-16-26(28)31(34-30)36-21-19-35(20-22-36)29(23-11-3-1-4-12-23)24-13-5-2-6-14-24/h1-18,29H,19-22H2/p+1