(2S)-2-(4-ethanoylpiperazin-1-ium-1-yl)-N-(4-ethylphenyl)propanamide

Systemtic Name: (2S)-2-(4-ethanoylpiperazin-1-ium-1-yl)-N-(4-ethylphenyl)propanamide Openeye Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-N-(4-ethylphenyl)propanamide CAS Name: (2S)-2-(4-acetyl-1-piperazin-1-iumyl)-N-(4-ethylphenyl)propanamide IUPAC Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-N-(4-ethylphenyl)propanamide Traditional Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-N-(4-ethylphenyl)propionamide Formula: C17H26N3O2+ MolecularWeight: 304.40724

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)[NH+]2CCN(CC2)C(=O)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)[C@H](C)[NH+]2CCN(CC2)C(=O)C

InChI

InChI=1S/C17H25N3O2/c1-4-15-5-7-16(8-6-15)18-17(22)13(2)19-9-11-20(12-10-19)14(3)21/h5-8,13H,4,9-12H2,1-3H3,(H,18,22)/p+1/t13-/m0/s1