2-(2-azanyl-3-butyl-benzimidazol-1-ium-1-yl)ethanoate

Systemtic Name: 2-(2-azanyl-3-butyl-benzimidazol-1-ium-1-yl)ethanoate Openeye Name: 2-(2-amino-3-butyl-benzimidazol-1-ium-1-yl)acetate CAS Name: 2-(2-amino-3-butyl-1-benzimidazol-1-iumyl)acetate IUPAC Name: 2-(2-amino-3-butylbenzimidazol-1-ium-1-yl)acetate Traditional Name: 2-(2-amino-3-butyl-benzimidazol-1-ium-1-yl)acetate Formula: C13H17N3O2 MolecularWeight: 247.29298

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2[N+](=C1N)CC(=O)[O-]

Isomeric SMILES

CCCCN1C2=CC=CC=C2[N+](=C1N)CC(=O)[O-]

InChI

InChI=1S/C13H17N3O2/c1-2-3-8-15-10-6-4-5-7-11(10)16(13(15)14)9-12(17)18/h4-7,14H,2-3,8-9H2,1H3,(H,17,18)