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

Systemtic Name: 3-[2-(4-aminophenyl)-5,6-dimethyl-3H-benzimidazol-1-ium-1-yl]propanoate Openeye Name: 3-[2-(4-aminophenyl)-5,6-dimethyl-3H-benzimidazol-1-ium-1-yl]propanoate CAS Name: 3-[2-(4-aminophenyl)-5,6-dimethyl-3H-benzimidazol-1-ium-1-yl]propanoate IUPAC Name: 3-[2-(4-aminophenyl)-5,6-dimethyl-3H-benzimidazol-1-ium-1-yl]propanoate Traditional Name: 3-[2-(4-aminophenyl)-5,6-dimethyl-3H-benzimidazol-1-ium-1-yl]propionate Formula: C18H19N3O2 MolecularWeight: 309.36236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O2/c1-11-9-15-16(10-12(11)2)21(8-7-17(22)23)18(20-15)13-3-5-14(19)6-4-13/h3-6,9-10H,7-8H2,1-2H3,(H3,19,20,22,23)