(2S)-2-(4-ethanoylpiperazin-1-ium-1-yl)-N-(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)propanamide

Systemtic Name: (2S)-2-(4-ethanoylpiperazin-1-ium-1-yl)-N-(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)propanamide Openeye Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide CAS Name: (2S)-2-(4-acetyl-1-piperazin-1-iumyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide IUPAC Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide Traditional Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-N-(2-keto-1,3-dihydrobenzimidazol-5-yl)propionamide Formula: C16H22N5O3+ MolecularWeight: 332.37758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)NC(=O)N2)[NH+]3CCN(CC3)C(=O)C

Isomeric SMILES

C[C@@H](C(=O)NC1=CC2=C(C=C1)NC(=O)N2)[NH+]3CCN(CC3)C(=O)C

InChI

InChI=1S/C16H21N5O3/c1-10(20-5-7-21(8-6-20)11(2)22)15(23)17-12-3-4-13-14(9-12)19-16(24)18-13/h3-4,9-10H,5-8H2,1-2H3,(H,17,23)(H2,18,19,24)/p+1/t10-/m0/s1