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

Systemtic Name: [4-(diphenylmethyl)piperazin-4-ium-1-yl]-[2-(3-methoxyphenyl)quinolin-4-yl]methanone Openeye Name: (4-benzhydrylpiperazin-4-ium-1-yl)-[2-(3-methoxyphenyl)-4-quinolyl]methanone CAS Name: [4-(diphenylmethyl)-1-piperazin-4-iumyl]-[2-(3-methoxyphenyl)-4-quinolinyl]methanone IUPAC Name: (4-benzhydrylpiperazin-4-ium-1-yl)-[2-(3-methoxyphenyl)quinolin-4-yl]methanone Traditional Name: (4-benzhydrylpiperazin-4-ium-1-yl)-[2-(3-methoxyphenyl)-4-quinolyl]methanone Formula: C34H32N3O2+ MolecularWeight: 514.63678

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CC[NH+](CC4)C(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

COC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CC[NH+](CC4)C(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C34H31N3O2/c1-39-28-16-10-15-27(23-28)32-24-30(29-17-8-9-18-31(29)35-32)34(38)37-21-19-36(20-22-37)33(25-11-4-2-5-12-25)26-13-6-3-7-14-26/h2-18,23-24,33H,19-22H2,1H3/p+1