ethyl (3S)-1-[(2S)-1-oxidanylidene-1-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(2S)-1-oxidanylidene-1-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[(1S)-1-methyl-2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(2S)-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(2S)-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[(1S)-2-keto-2-[(2-keto-1,3-dihydrobenzimidazol-5-yl)amino]-1-methyl-ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C18H25N4O4+ MolecularWeight: 361.4155

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)C(C)C(=O)NC2=CC3=C(C=C2)NC(=O)N3

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O4/c1-3-26-17(24)12-5-4-8-22(10-12)11(2)16(23)19-13-6-7-14-15(9-13)21-18(25)20-14/h6-7,9,11-12H,3-5,8,10H2,1-2H3,(H,19,23)(H2,20,21,25)/p+1/t11-,12-/m0/s1