(1-butyl-3-methyl-imidazol-1-ium-4-yl)methyl 3,4-dimethylcyclohex-3-ene-1-carboxylate

Systemtic Name: (1-butyl-3-methyl-imidazol-1-ium-4-yl)methyl 3,4-dimethylcyclohex-3-ene-1-carboxylate Openeye Name: (1-butyl-3-methyl-imidazol-1-ium-4-yl)methyl 3,4-dimethylcyclohex-3-ene-1-carboxylate CAS Name: 3,4-dimethyl-1-cyclohex-3-enecarboxylic acid (1-butyl-3-methyl-4-imidazol-1-iumyl)methyl ester IUPAC Name: (1-butyl-3-methylimidazol-1-ium-4-yl)methyl 3,4-dimethylcyclohex-3-ene-1-carboxylate Traditional Name: 3,4-dimethylcyclohex-3-ene-1-carboxylic acid (1-butyl-3-methyl-imidazol-1-ium-4-yl)methyl ester Formula: C18H29N2O2+ MolecularWeight: 305.43506

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=CN(C(=C1)COC(=O)C2CCC(=C(C2)C)C)C

Isomeric SMILES

CCCC[N+]1=CN(C(=C1)COC(=O)C2CCC(=C(C2)C)C)C

InChI

InChI=1S/C18H29N2O2/c1-5-6-9-20-11-17(19(4)13-20)12-22-18(21)16-8-7-14(2)15(3)10-16/h11,13,16H,5-10,12H2,1-4H3/q+1