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

Systemtic Name: methyl 2-[2-azanyl-3-[(4-methylphenyl)methyl]benzimidazol-3-ium-1-yl]ethanoate Openeye Name: methyl 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]acetic acid methyl ester IUPAC Name: methyl 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]acetic acid methyl ester Formula: C18H20N3O2+ MolecularWeight: 310.3703

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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)OC)N

Isomeric SMILES

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

InChI

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