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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC(=O)NC2=CC3=C(C=C2)NC(=O)N3

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC(=O)NC2=CC3=C(C=C2)NC(=O)N3

InChI

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