2-[2-azanyl-3-[(4-methylphenyl)methyl]benzimidazol-3-ium-1-yl]ethanoate

Systemtic Name: 2-[2-azanyl-3-[(4-methylphenyl)methyl]benzimidazol-3-ium-1-yl]ethanoate Openeye Name: 2-[2-amino-3-(p-tolylmethyl)benzimidazol-3-ium-1-yl]acetate CAS Name: 2-[2-amino-3-[(4-methylphenyl)methyl]-1-benzimidazol-3-iumyl]acetate IUPAC Name: 2-[2-amino-3-[(4-methylphenyl)methyl]benzimidazol-3-ium-1-yl]acetate Traditional Name: 2-[2-amino-3-(4-methylbenzyl)benzimidazol-3-ium-1-yl]acetate Formula: C17H17N3O2 MolecularWeight: 295.33578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[N+]2=C(N(C3=CC=CC=C32)CC(=O)[O-])N

Isomeric SMILES

CC1=CC=C(C=C1)C[N+]2=C(N(C3=CC=CC=C32)CC(=O)[O-])N

InChI

InChI=1S/C17H17N3O2/c1-12-6-8-13(9-7-12)10-19-14-4-2-3-5-15(14)20(17(19)18)11-16(21)22/h2-9,18H,10-11H2,1H3,(H,21,22)