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

Systemtic Name: 3-[2-(4-aminophenyl)-3H-benzimidazol-1-ium-1-yl]propanoate Openeye Name: 3-[2-(4-aminophenyl)-3H-benzimidazol-1-ium-1-yl]propanoate CAS Name: 3-[2-(4-aminophenyl)-3H-benzimidazol-1-ium-1-yl]propanoate IUPAC Name: 3-[2-(4-aminophenyl)-3H-benzimidazol-1-ium-1-yl]propanoate Traditional Name: 3-[2-(4-aminophenyl)-3H-benzimidazol-1-ium-1-yl]propionate Formula: C16H15N3O2 MolecularWeight: 281.3092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O2/c17-12-7-5-11(6-8-12)16-18-13-3-1-2-4-14(13)19(16)10-9-15(20)21/h1-8H,9-10H2,(H3,17,18,20,21)