(2R)-2-[2-(4-aminophenyl)-5,6-dimethyl-3H-benzimidazol-1-ium-1-yl]butanoate

Systemtic Name: (2R)-2-[2-(4-aminophenyl)-5,6-dimethyl-3H-benzimidazol-1-ium-1-yl]butanoate Openeye Name: (2R)-2-[2-(4-aminophenyl)-5,6-dimethyl-3H-benzimidazol-1-ium-1-yl]butanoate CAS Name: (2R)-2-[2-(4-aminophenyl)-5,6-dimethyl-3H-benzimidazol-1-ium-1-yl]butanoate IUPAC Name: (2R)-2-[2-(4-aminophenyl)-5,6-dimethyl-3H-benzimidazol-1-ium-1-yl]butanoate Traditional Name: (2R)-2-[2-(4-aminophenyl)-5,6-dimethyl-3H-benzimidazol-1-ium-1-yl]butyrate Formula: C19H21N3O2 MolecularWeight: 323.38894

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])[N+]1=C(NC2=C1C=C(C(=C2)C)C)C3=CC=C(C=C3)N

Isomeric SMILES

CC[C@H](C(=O)[O-])[N+]1=C(NC2=C1C=C(C(=C2)C)C)C3=CC=C(C=C3)N

InChI

InChI=1S/C19H21N3O2/c1-4-16(19(23)24)22-17-10-12(3)11(2)9-15(17)21-18(22)13-5-7-14(20)8-6-13/h5-10,16H,4H2,1-3H3,(H3,20,21,23,24)/t16-/m1/s1