(2S)-2-(4-ethanoylpiperazin-1-ium-1-yl)-N-(3-methoxyphenyl)-2-phenyl-ethanamide

Systemtic Name: (2S)-2-(4-ethanoylpiperazin-1-ium-1-yl)-N-(3-methoxyphenyl)-2-phenyl-ethanamide Openeye Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-N-(3-methoxyphenyl)-2-phenyl-acetamide CAS Name: (2S)-2-(4-acetyl-1-piperazin-1-iumyl)-N-(3-methoxyphenyl)-2-phenylacetamide IUPAC Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-N-(3-methoxyphenyl)-2-phenylacetamide Traditional Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-N-(3-methoxyphenyl)-2-phenyl-acetamide Formula: C21H26N3O3+ MolecularWeight: 368.44944

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[NH+](CC1)C(C2=CC=CC=C2)C(=O)NC3=CC(=CC=C3)OC

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)[C@@H](C2=CC=CC=C2)C(=O)NC3=CC(=CC=C3)OC

InChI

InChI=1S/C21H25N3O3/c1-16(25)23-11-13-24(14-12-23)20(17-7-4-3-5-8-17)21(26)22-18-9-6-10-19(15-18)27-2/h3-10,15,20H,11-14H2,1-2H3,(H,22,26)/p+1/t20-/m0/s1