methyl 2-(5-aminocarbonyl-3-oxidanidyl-1-propyl-benzimidazol-3-ium-2-yl)ethanoate

Systemtic Name: methyl 2-(5-aminocarbonyl-3-oxidanidyl-1-propyl-benzimidazol-3-ium-2-yl)ethanoate Openeye Name: methyl 2-(5-carbamoyl-3-oxido-1-propyl-benzimidazol-3-ium-2-yl)acetate CAS Name: 2-(5-carbamoyl-3-oxido-1-propyl-2-benzimidazol-3-iumyl)acetic acid methyl ester IUPAC Name: methyl 2-(5-carbamoyl-3-oxido-1-propylbenzimidazol-3-ium-2-yl)acetate Traditional Name: 2-(5-carbamoyl-3-oxido-1-propyl-benzimidazol-3-ium-2-yl)acetic acid methyl ester Formula: C14H17N3O4 MolecularWeight: 291.30248

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)C(=O)N)[N+](=C1CC(=O)OC)[O-]

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)C(=O)N)[N+](=C1CC(=O)OC)[O-]

InChI

InChI=1S/C14H17N3O4/c1-3-6-16-10-5-4-9(14(15)19)7-11(10)17(20)12(16)8-13(18)21-2/h4-5,7H,3,6,8H2,1-2H3,(H2,15,19)