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

Systemtic Name: [4-(diphenylmethyl)piperazin-4-ium-1-yl]-[2-(4-fluorophenyl)quinolin-4-yl]methanone Openeye Name: (4-benzhydrylpiperazin-4-ium-1-yl)-[2-(4-fluorophenyl)-4-quinolyl]methanone CAS Name: [4-(diphenylmethyl)-1-piperazin-4-iumyl]-[2-(4-fluorophenyl)-4-quinolinyl]methanone IUPAC Name: (4-benzhydrylpiperazin-4-ium-1-yl)-[2-(4-fluorophenyl)quinolin-4-yl]methanone Traditional Name: (4-benzhydrylpiperazin-4-ium-1-yl)-[2-(4-fluorophenyl)-4-quinolyl]methanone Formula: C33H29FN3O+ MolecularWeight: 502.601263

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H28FN3O/c34-27-17-15-24(16-18-27)31-23-29(28-13-7-8-14-30(28)35-31)33(38)37-21-19-36(20-22-37)32(25-9-3-1-4-10-25)26-11-5-2-6-12-26/h1-18,23,32H,19-22H2/p+1