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

Systemtic Name: 2-(2-azanyl-3-propyl-benzimidazol-1-ium-1-yl)ethanoate Openeye Name: 2-(2-amino-3-propyl-benzimidazol-1-ium-1-yl)acetate CAS Name: 2-(2-amino-3-propyl-1-benzimidazol-1-iumyl)acetate IUPAC Name: 2-(2-amino-3-propylbenzimidazol-1-ium-1-yl)acetate Traditional Name: 2-(2-amino-3-propyl-benzimidazol-1-ium-1-yl)acetate Formula: C12H15N3O2 MolecularWeight: 233.2664

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2[N+](=C1N)CC(=O)[O-]

Isomeric SMILES

CCCN1C2=CC=CC=C2[N+](=C1N)CC(=O)[O-]

InChI

InChI=1S/C12H15N3O2/c1-2-7-14-9-5-3-4-6-10(9)15(12(14)13)8-11(16)17/h3-6,13H,2,7-8H2,1H3,(H,16,17)