1-(2-pyrrolidin-1-ium-1-ylethyl)benzimidazole-5-carboxylate

Systemtic Name: 1-(2-pyrrolidin-1-ium-1-ylethyl)benzimidazole-5-carboxylate Openeye Name: 1-(2-pyrrolidin-1-ium-1-ylethyl)benzimidazole-5-carboxylate CAS Name: 1-[2-(1-pyrrolidin-1-iumyl)ethyl]-5-benzimidazolecarboxylate IUPAC Name: 1-(2-pyrrolidin-1-ium-1-ylethyl)benzimidazole-5-carboxylate Traditional Name: 1-(2-pyrrolidin-1-ium-1-ylethyl)benzimidazole-5-carboxylate Formula: C14H17N3O2 MolecularWeight: 259.30368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCN2C=NC3=C2C=CC(=C3)C(=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)CCN2C=NC3=C2C=CC(=C3)C(=O)[O-]

InChI

InChI=1S/C14H17N3O2/c18-14(19)11-3-4-13-12(9-11)15-10-17(13)8-7-16-5-1-2-6-16/h3-4,9-10H,1-2,5-8H2,(H,18,19)