methyl 4-[[4-(acetyloxymethyl)-2-butyl-1H-imidazol-3-ium-3-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-(acetyloxymethyl)-2-butyl-1H-imidazol-3-ium-3-yl]methyl]benzoate Openeye Name: methyl 4-[[4-(acetoxymethyl)-2-butyl-1H-imidazol-3-ium-3-yl]methyl]benzoate CAS Name: 4-[[4-(acetyloxymethyl)-2-butyl-1H-imidazol-3-ium-3-yl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(acetyloxymethyl)-2-butyl-1H-imidazol-3-ium-3-yl]methyl]benzoate Traditional Name: 4-[[4-(acetoxymethyl)-2-butyl-1H-imidazol-3-ium-3-yl]methyl]benzoic acid methyl ester Formula: C19H25N2O4+ MolecularWeight: 345.4128

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=[N+](C(=CN1)COC(=O)C)CC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CCCCC1=[N+](C(=CN1)COC(=O)C)CC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C19H24N2O4/c1-4-5-6-18-20-11-17(13-25-14(2)22)21(18)12-15-7-9-16(10-8-15)19(23)24-3/h7-11H,4-6,12-13H2,1-3H3/p+1