5-(1H-benzimidazol-3-ium-2-yl)pentanoate

Systemtic Name: 5-(1H-benzimidazol-3-ium-2-yl)pentanoate Openeye Name: 5-(1H-benzimidazol-3-ium-2-yl)pentanoate CAS Name: 5-(1H-benzimidazol-3-ium-2-yl)pentanoate IUPAC Name: 5-(1H-benzimidazol-3-ium-2-yl)pentanoate Traditional Name: 5-(1H-benzimidazol-3-ium-2-yl)valerate Formula: C12H14N2O2 MolecularWeight: 218.25176

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=[NH+]2)CCCCC(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=[NH+]2)CCCCC(=O)[O-]

InChI

InChI=1S/C12H14N2O2/c15-12(16)8-4-3-7-11-13-9-5-1-2-6-10(9)14-11/h1-2,5-6H,3-4,7-8H2,(H,13,14)(H,15,16)