ethyl 4-[2-methyl-3-(phenylmethyl)benzimidazol-3-ium-1-yl]butanoate

Systemtic Name: ethyl 4-[2-methyl-3-(phenylmethyl)benzimidazol-3-ium-1-yl]butanoate Openeye Name: ethyl 4-(3-benzyl-2-methyl-benzimidazol-3-ium-1-yl)butanoate CAS Name: 4-[2-methyl-3-(phenylmethyl)-1-benzimidazol-3-iumyl]butanoic acid ethyl ester IUPAC Name: ethyl 4-(3-benzyl-2-methylbenzimidazol-3-ium-1-yl)butanoate Traditional Name: 4-(3-benzyl-2-methyl-benzimidazol-3-ium-1-yl)butyric acid ethyl ester Formula: C21H25N2O2+ MolecularWeight: 337.4354

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCN1C(=[N+](C2=CC=CC=C21)CC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)CCCN1C(=[N+](C2=CC=CC=C21)CC3=CC=CC=C3)C

InChI

InChI=1S/C21H25N2O2/c1-3-25-21(24)14-9-15-22-17(2)23(16-18-10-5-4-6-11-18)20-13-8-7-12-19(20)22/h4-8,10-13H,3,9,14-16H2,1-2H3/q+1