2-[2,6-dimethyl-1-(4-phenylmethoxyphenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: 2-[2,6-dimethyl-1-(4-phenylmethoxyphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[1-(4-benzyloxyphenyl)-2,6-dimethyl-piperazin-1-ium-1-yl]acetamide CAS Name: 2-[2,6-dimethyl-1-(4-phenylmethoxyphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-[2,6-dimethyl-1-(4-phenylmethoxyphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: 2-[1-(4-benzoxyphenyl)-2,6-dimethyl-piperazin-1-ium-1-yl]acetamide Formula: C21H28N3O2+ MolecularWeight: 354.46592

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Descriptors Computed from Structure

Canonical SMILES:

CC1CNCC([N+]1(CC(=O)N)C2=CC=C(C=C2)OCC3=CC=CC=C3)C

Isomeric SMILES

CC1CNCC([N+]1(CC(=O)N)C2=CC=C(C=C2)OCC3=CC=CC=C3)C

InChI

InChI=1S/C21H27N3O2/c1-16-12-23-13-17(2)24(16,14-21(22)25)19-8-10-20(11-9-19)26-15-18-6-4-3-5-7-18/h3-11,16-17,23H,12-15H2,1-2H3,(H-,22,25)/p+1