[2-(3,4-dimethylphenyl)quinolin-4-yl]-[4-(diphenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: [2-(3,4-dimethylphenyl)quinolin-4-yl]-[4-(diphenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzhydrylpiperazin-4-ium-1-yl)-[2-(3,4-dimethylphenyl)-4-quinolyl]methanone CAS Name: [2-(3,4-dimethylphenyl)-4-quinolinyl]-[4-(diphenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzhydrylpiperazin-4-ium-1-yl)-[2-(3,4-dimethylphenyl)quinolin-4-yl]methanone Traditional Name: (4-benzhydrylpiperazin-4-ium-1-yl)-[2-(3,4-dimethylphenyl)-4-quinolyl]methanone Formula: C35H34N3O+ MolecularWeight: 512.66396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CC[NH+](CC4)C(C5=CC=CC=C5)C6=CC=CC=C6)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CC[NH+](CC4)C(C5=CC=CC=C5)C6=CC=CC=C6)C

InChI

InChI=1S/C35H33N3O/c1-25-17-18-29(23-26(25)2)33-24-31(30-15-9-10-16-32(30)36-33)35(39)38-21-19-37(20-22-38)34(27-11-5-3-6-12-27)28-13-7-4-8-14-28/h3-18,23-24,34H,19-22H2,1-2H3/p+1