2-[2-(4-aminophenyl)-3H-benzimidazol-1-ium-1-yl]ethanoate

Systemtic Name: 2-[2-(4-aminophenyl)-3H-benzimidazol-1-ium-1-yl]ethanoate Openeye Name: 2-[2-(4-aminophenyl)-3H-benzimidazol-1-ium-1-yl]acetate CAS Name: 2-[2-(4-aminophenyl)-3H-benzimidazol-1-ium-1-yl]acetate IUPAC Name: 2-[2-(4-aminophenyl)-3H-benzimidazol-1-ium-1-yl]acetate Traditional Name: 2-[2-(4-aminophenyl)-3H-benzimidazol-1-ium-1-yl]acetate Formula: C15H13N3O2 MolecularWeight: 267.28262

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=[N+]2CC(=O)[O-])C3=CC=C(C=C3)N

Isomeric SMILES

C1=CC=C2C(=C1)NC(=[N+]2CC(=O)[O-])C3=CC=C(C=C3)N

InChI

InChI=1S/C15H13N3O2/c16-11-7-5-10(6-8-11)15-17-12-3-1-2-4-13(12)18(15)9-14(19)20/h1-8H,9H2,(H3,16,17,19,20)