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

Systemtic Name: (2R)-2-[2-(4-aminophenyl)-5,6-dimethyl-3H-benzimidazol-1-ium-1-yl]propanoic acid Openeye Name: (2R)-2-[2-(4-aminophenyl)-5,6-dimethyl-3H-benzimidazol-1-ium-1-yl]propanoic acid CAS Name: (2R)-2-[2-(4-aminophenyl)-5,6-dimethyl-3H-benzimidazol-1-ium-1-yl]propanoic acid IUPAC Name: (2R)-2-[2-(4-aminophenyl)-5,6-dimethyl-3H-benzimidazol-1-ium-1-yl]propanoic acid Traditional Name: (2R)-2-[2-(4-aminophenyl)-5,6-dimethyl-3H-benzimidazol-1-ium-1-yl]propionic acid Formula: C18H20N3O2+ MolecularWeight: 310.3703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)[N+](=C(N2)C3=CC=C(C=C3)N)C(C)C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1C)[N+](=C(N2)C3=CC=C(C=C3)N)[C@H](C)C(=O)O

InChI

InChI=1S/C18H19N3O2/c1-10-8-15-16(9-11(10)2)21(12(3)18(22)23)17(20-15)13-4-6-14(19)7-5-13/h4-9,12H,1-3H3,(H3,19,20,22,23)/p+1/t12-/m1/s1