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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])[N+]1=C(NC2=CC=CC=C21)C3=CC=C(C=C3)N

Isomeric SMILES

C[C@H](C(=O)[O-])[N+]1=C(NC2=CC=CC=C21)C3=CC=C(C=C3)N

InChI

InChI=1S/C16H15N3O2/c1-10(16(20)21)19-14-5-3-2-4-13(14)18-15(19)11-6-8-12(17)9-7-11/h2-10H,1H3,(H3,17,18,20,21)/t10-/m1/s1