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

Systemtic Name: 2-(3,4-dimethoxyphenyl)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-(3,4-dimethoxyphenyl)ethanone CAS Name: 2-(3,4-dimethoxyphenyl)-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-(3,4-dimethoxyphenyl)ethanone Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-(3,4-dimethoxyphenyl)ethanone Formula: C21H27N2O3+ MolecularWeight: 355.45068

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)OC

InChI

InChI=1S/C21H26N2O3/c1-25-19-9-8-18(14-20(19)26-2)15-21(24)23-12-10-22(11-13-23)16-17-6-4-3-5-7-17/h3-9,14H,10-13,15-16H2,1-2H3/p+1