(2S)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)propanamide

Systemtic Name: (2S)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)propanamide Openeye Name: (2S)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide CAS Name: (2S)-2-[(3S)-3-methyl-1-piperidin-1-iumyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide IUPAC Name: (2S)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide Traditional Name: (2S)-N-(2-keto-1,3-dihydrobenzimidazol-5-yl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propionamide Formula: C16H23N4O2+ MolecularWeight: 303.37942

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)C(C)C(=O)NC2=CC3=C(C=C2)NC(=O)N3

Isomeric SMILES

C[C@H]1CCC[NH+](C1)[C@@H](C)C(=O)NC2=CC3=C(C=C2)NC(=O)N3

InChI

InChI=1S/C16H22N4O2/c1-10-4-3-7-20(9-10)11(2)15(21)17-12-5-6-13-14(8-12)19-16(22)18-13/h5-6,8,10-11H,3-4,7,9H2,1-2H3,(H,17,21)(H2,18,19,22)/p+1/t10-,11-/m0/s1