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

Systemtic Name: [6-bromanyl-2-(3,4-dimethylphenyl)quinolin-4-yl]-[4-(diphenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzhydrylpiperazin-4-ium-1-yl)-[6-bromo-2-(3,4-dimethylphenyl)-4-quinolyl]methanone CAS Name: [6-bromo-2-(3,4-dimethylphenyl)-4-quinolinyl]-[4-(diphenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzhydrylpiperazin-4-ium-1-yl)-[6-bromo-2-(3,4-dimethylphenyl)quinolin-4-yl]methanone Traditional Name: (4-benzhydrylpiperazin-4-ium-1-yl)-[6-bromo-2-(3,4-dimethylphenyl)-4-quinolyl]methanone Formula: C35H33BrN3O+ MolecularWeight: 591.56002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=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=C(C=C(C=C3)Br)C(=C2)C(=O)N4CC[NH+](CC4)C(C5=CC=CC=C5)C6=CC=CC=C6)C

InChI

InChI=1S/C35H32BrN3O/c1-24-13-14-28(21-25(24)2)33-23-31(30-22-29(36)15-16-32(30)37-33)35(40)39-19-17-38(18-20-39)34(26-9-5-3-6-10-26)27-11-7-4-8-12-27/h3-16,21-23,34H,17-20H2,1-2H3/p+1