(2S)-2-(4-ethanoylpiperazin-1-ium-1-yl)-N-(2-ethoxyphenyl)-2-phenyl-ethanamide

Systemtic Name: (2S)-2-(4-ethanoylpiperazin-1-ium-1-yl)-N-(2-ethoxyphenyl)-2-phenyl-ethanamide Openeye Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-N-(2-ethoxyphenyl)-2-phenyl-acetamide CAS Name: (2S)-2-(4-acetyl-1-piperazin-1-iumyl)-N-(2-ethoxyphenyl)-2-phenylacetamide IUPAC Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-N-(2-ethoxyphenyl)-2-phenylacetamide Traditional Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-N-o-phenetyl-2-phenyl-acetamide Formula: C22H28N3O3+ MolecularWeight: 382.47602

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C(C2=CC=CC=C2)[NH+]3CCN(CC3)C(=O)C

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)[C@H](C2=CC=CC=C2)[NH+]3CCN(CC3)C(=O)C

InChI

InChI=1S/C22H27N3O3/c1-3-28-20-12-8-7-11-19(20)23-22(27)21(18-9-5-4-6-10-18)25-15-13-24(14-16-25)17(2)26/h4-12,21H,3,13-16H2,1-2H3,(H,23,27)/p+1/t21-/m0/s1