2-azaniumyl-4-(1H-benzimidazol-3-ium-2-yl)butanoate

Systemtic Name: 2-azaniumyl-4-(1H-benzimidazol-3-ium-2-yl)butanoate Openeye Name: 2-azaniumyl-4-(1H-benzimidazol-3-ium-2-yl)butanoate CAS Name: 2-ammonio-4-(1H-benzimidazol-3-ium-2-yl)butanoate IUPAC Name: 2-azaniumyl-4-(1H-benzimidazol-3-ium-2-yl)butanoate Traditional Name: 2-ammonio-4-(1H-benzimidazol-3-ium-2-yl)butyrate Formula: C11H14N3O2+ MolecularWeight: 220.24776

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=[NH+]2)CCC(C(=O)[O-])[NH3+]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=[NH+]2)CCC(C(=O)[O-])[NH3+]

InChI

InChI=1S/C11H13N3O2/c12-7(11(15)16)5-6-10-13-8-3-1-2-4-9(8)14-10/h1-4,7H,5-6,12H2,(H,13,14)(H,15,16)/p+1