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

Systemtic Name: [4-(diphenylmethyl)piperazin-4-ium-1-yl]-[2-(4-ethoxyphenyl)quinolin-4-yl]methanone Openeye Name: (4-benzhydrylpiperazin-4-ium-1-yl)-[2-(4-ethoxyphenyl)-4-quinolyl]methanone CAS Name: [4-(diphenylmethyl)-1-piperazin-4-iumyl]-[2-(4-ethoxyphenyl)-4-quinolinyl]methanone IUPAC Name: (4-benzhydrylpiperazin-4-ium-1-yl)-[2-(4-ethoxyphenyl)quinolin-4-yl]methanone Traditional Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(2-p-phenetyl-4-quinolyl)methanone Formula: C35H34N3O2+ MolecularWeight: 528.66336

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CC[NH+](CC4)C(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CC[NH+](CC4)C(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C35H33N3O2/c1-2-40-29-19-17-26(18-20-29)33-25-31(30-15-9-10-16-32(30)36-33)35(39)38-23-21-37(22-24-38)34(27-11-5-3-6-12-27)28-13-7-4-8-14-28/h3-20,25,34H,2,21-24H2,1H3/p+1