2-[2,2,3-trimethyl-1-(4-phenylmethoxyphenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: 2-[2,2,3-trimethyl-1-(4-phenylmethoxyphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[1-(4-benzyloxyphenyl)-2,2,3-trimethyl-piperazin-1-ium-1-yl]acetamide CAS Name: 2-[2,2,3-trimethyl-1-(4-phenylmethoxyphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-[2,2,3-trimethyl-1-(4-phenylmethoxyphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: 2-[1-(4-benzoxyphenyl)-2,2,3-trimethyl-piperazin-1-ium-1-yl]acetamide Formula: C22H30N3O2+ MolecularWeight: 368.4925

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Descriptors Computed from Structure

Canonical SMILES:

CC1C([N+](CCN1)(CC(=O)N)C2=CC=C(C=C2)OCC3=CC=CC=C3)(C)C

Isomeric SMILES

CC1C([N+](CCN1)(CC(=O)N)C2=CC=C(C=C2)OCC3=CC=CC=C3)(C)C

InChI

InChI=1S/C22H29N3O2/c1-17-22(2,3)25(14-13-24-17,15-21(23)26)19-9-11-20(12-10-19)27-16-18-7-5-4-6-8-18/h4-12,17,24H,13-16H2,1-3H3,(H-,23,26)/p+1