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

Systemtic Name: (2S)-2-(4-ethanoylpiperazin-1-ium-1-yl)-N-(ethylcarbamoyl)-2-phenyl-ethanamide Openeye Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-N-(ethylcarbamoyl)-2-phenyl-acetamide CAS Name: (2S)-2-(4-acetyl-1-piperazin-1-iumyl)-N-(ethylcarbamoyl)-2-phenylacetamide IUPAC Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-N-(ethylcarbamoyl)-2-phenylacetamide Traditional Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-N-(ethylcarbamoyl)-2-phenyl-acetamide Formula: C17H25N4O3+ MolecularWeight: 333.4054

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC(=O)C(C1=CC=CC=C1)[NH+]2CCN(CC2)C(=O)C

Isomeric SMILES

CCNC(=O)NC(=O)[C@H](C1=CC=CC=C1)[NH+]2CCN(CC2)C(=O)C

InChI

InChI=1S/C17H24N4O3/c1-3-18-17(24)19-16(23)15(14-7-5-4-6-8-14)21-11-9-20(10-12-21)13(2)22/h4-8,15H,3,9-12H2,1-2H3,(H2,18,19,23,24)/p+1/t15-/m0/s1