ethyl 2-[5,6-dimethyl-3-(phenylmethyl)benzimidazol-3-ium-1-yl]ethanoate

Systemtic Name: ethyl 2-[5,6-dimethyl-3-(phenylmethyl)benzimidazol-3-ium-1-yl]ethanoate Openeye Name: ethyl 2-(3-benzyl-5,6-dimethyl-benzimidazol-3-ium-1-yl)acetate CAS Name: 2-[5,6-dimethyl-3-(phenylmethyl)-1-benzimidazol-3-iumyl]acetic acid ethyl ester IUPAC Name: ethyl 2-(3-benzyl-5,6-dimethylbenzimidazol-3-ium-1-yl)acetate Traditional Name: 2-(3-benzyl-5,6-dimethyl-benzimidazol-3-ium-1-yl)acetic acid ethyl ester Formula: C20H23N2O2+ MolecularWeight: 323.40882

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C=[N+](C2=C1C=C(C(=C2)C)C)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CN1C=[N+](C2=C1C=C(C(=C2)C)C)CC3=CC=CC=C3

InChI

InChI=1S/C20H23N2O2/c1-4-24-20(23)13-22-14-21(12-17-8-6-5-7-9-17)18-10-15(2)16(3)11-19(18)22/h5-11,14H,4,12-13H2,1-3H3/q+1