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

Systemtic Name: 2-(2,3-dimethylphenoxy)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-(2,3-dimethylphenoxy)ethanone CAS Name: 2-(2,3-dimethylphenoxy)-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-(2,3-dimethylphenoxy)ethanone Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-(2,3-dimethylphenoxy)ethanone Formula: C21H27N2O2+ MolecularWeight: 339.45128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OCC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C(=CC=C1)OCC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)C

InChI

InChI=1S/C21H26N2O2/c1-17-7-6-10-20(18(17)2)25-16-21(24)23-13-11-22(12-14-23)15-19-8-4-3-5-9-19/h3-10H,11-16H2,1-2H3/p+1