ethyl 6-[3-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]imidazol-3-ium-1-yl]hexanoate

Systemtic Name: ethyl 6-[3-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]imidazol-3-ium-1-yl]hexanoate Openeye Name: ethyl 6-[3-[2-oxo-2-(p-tolyl)ethyl]imidazol-3-ium-1-yl]hexanoate CAS Name: 6-[3-[2-(4-methylphenyl)-2-oxoethyl]-1-imidazol-3-iumyl]hexanoic acid ethyl ester IUPAC Name: ethyl 6-[3-[2-(4-methylphenyl)-2-oxoethyl]imidazol-3-ium-1-yl]hexanoate Traditional Name: 6-[3-[2-keto-2-(p-tolyl)ethyl]imidazol-3-ium-1-yl]hexanoic acid ethyl ester Formula: C20H27N2O3+ MolecularWeight: 343.43998

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCN1C=C[N+](=C1)CC(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)CCCCCN1C=C[N+](=C1)CC(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C20H27N2O3/c1-3-25-20(24)7-5-4-6-12-21-13-14-22(16-21)15-19(23)18-10-8-17(2)9-11-18/h8-11,13-14,16H,3-7,12,15H2,1-2H3/q+1