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

Systemtic Name: ethyl 2-[2-azanyl-3-[(4-methylphenyl)methyl]benzimidazol-3-ium-1-yl]ethanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C19H22N3O2+ MolecularWeight: 324.39688

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=CC=CC=C2[N+](=C1N)CC3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)CN1C2=CC=CC=C2[N+](=C1N)CC3=CC=C(C=C3)C

InChI

InChI=1S/C19H21N3O2/c1-3-24-18(23)13-22-17-7-5-4-6-16(17)21(19(22)20)12-15-10-8-14(2)9-11-15/h4-11,20H,3,12-13H2,1-2H3/p+1