methyl 1-[(2R)-1-oxidanylidene-1-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[(2R)-1-oxidanylidene-1-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[(1R)-1-methyl-2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2R)-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[(2R)-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(1R)-2-keto-2-[(2-keto-1,3-dihydrobenzimidazol-5-yl)amino]-1-methyl-ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C17H23N4O4+ MolecularWeight: 347.38892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O4/c1-10(21-7-5-11(6-8-21)16(23)25-2)15(22)18-12-3-4-13-14(9-12)20-17(24)19-13/h3-4,9-11H,5-8H2,1-2H3,(H,18,22)(H2,19,20,24)/p+1/t10-/m1/s1