2-(3,4-dimethoxyphenyl)-1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-(3,4-dimethoxyphenyl)-1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-(3,4-dimethoxyphenyl)ethanone CAS Name: 2-(3,4-dimethoxyphenyl)-1-[4-(diphenylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-(3,4-dimethoxyphenyl)ethanone Traditional Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-(3,4-dimethoxyphenyl)ethanone Formula: C27H31N2O3+ MolecularWeight: 431.54664

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)OC

InChI

InChI=1S/C27H30N2O3/c1-31-24-14-13-21(19-25(24)32-2)20-26(30)28-15-17-29(18-16-28)27(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-14,19,27H,15-18,20H2,1-2H3/p+1