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

Systemtic Name: [4-(diphenylmethyl)piperazin-4-ium-1-yl]-[2-(2-methylphenyl)quinolin-4-yl]methanone Openeye Name: (4-benzhydrylpiperazin-4-ium-1-yl)-[2-(o-tolyl)-4-quinolyl]methanone CAS Name: [4-(diphenylmethyl)-1-piperazin-4-iumyl]-[2-(2-methylphenyl)-4-quinolinyl]methanone IUPAC Name: (4-benzhydrylpiperazin-4-ium-1-yl)-[2-(2-methylphenyl)quinolin-4-yl]methanone Traditional Name: (4-benzhydrylpiperazin-4-ium-1-yl)-[2-(o-tolyl)-4-quinolyl]methanone Formula: C34H32N3O+ MolecularWeight: 498.63738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NC3=CC=CC=C3C(=C2)C(=O)N4CC[NH+](CC4)C(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CC1=CC=CC=C1C2=NC3=CC=CC=C3C(=C2)C(=O)N4CC[NH+](CC4)C(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C34H31N3O/c1-25-12-8-9-17-28(25)32-24-30(29-18-10-11-19-31(29)35-32)34(38)37-22-20-36(21-23-37)33(26-13-4-2-5-14-26)27-15-6-3-7-16-27/h2-19,24,33H,20-23H2,1H3/p+1