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

Systemtic Name: (2R)-2-[2-(4-aminophenyl)-3H-benzimidazol-1-ium-1-yl]butanoate Openeye Name: (2R)-2-[2-(4-aminophenyl)-3H-benzimidazol-1-ium-1-yl]butanoate CAS Name: (2R)-2-[2-(4-aminophenyl)-3H-benzimidazol-1-ium-1-yl]butanoate IUPAC Name: (2R)-2-[2-(4-aminophenyl)-3H-benzimidazol-1-ium-1-yl]butanoate Traditional Name: (2R)-2-[2-(4-aminophenyl)-3H-benzimidazol-1-ium-1-yl]butyrate Formula: C17H17N3O2 MolecularWeight: 295.33578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O2/c1-2-14(17(21)22)20-15-6-4-3-5-13(15)19-16(20)11-7-9-12(18)10-8-11/h3-10,14H,2H2,1H3,(H3,18,19,21,22)/t14-/m1/s1