(Z)-2-(4-cyclohexyl-4-methyl-5-oxidanylidene-1H-imidazol-2-yl)but-2-enoate; triethyl-(phenylmethyl)azanium

Systemtic Name: (Z)-2-(4-cyclohexyl-4-methyl-5-oxidanylidene-1H-imidazol-2-yl)but-2-enoate; triethyl-(phenylmethyl)azanium Openeye Name: benzyl(triethyl)ammonium; (Z)-2-(4-cyclohexyl-4-methyl-5-oxo-1H-imidazol-2-yl)but-2-enoate CAS Name: (Z)-2-(4-cyclohexyl-4-methyl-5-oxo-1H-imidazol-2-yl)-2-butenoate; triethyl-(phenylmethyl)ammonium IUPAC Name: benzyl(triethyl)azanium; (Z)-2-(4-cyclohexyl-4-methyl-5-oxo-1H-imidazol-2-yl)but-2-enoate Traditional Name: benzyl(triethyl)ammonium; (Z)-2-(4-cyclohexyl-5-keto-4-methyl-2-imidazolin-2-yl)but-2-enoate Formula: C27H41N3O3 MolecularWeight: 455.63274

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(CC)CC1=CC=CC=C1.CC=C(C1=NC(C(=O)N1)(C)C2CCCCC2)C(=O)[O-]

Isomeric SMILES

CC[N+](CC)(CC)CC1=CC=CC=C1.C/C=C(/C1=NC(C(=O)N1)(C)C2CCCCC2)\C(=O)[O-]

InChI

InChI=1S/C14H20N2O3.C13H22N/c1-3-10(12(17)18)11-15-13(19)14(2,16-11)9-7-5-4-6-8-9;1-4-14(5-2,6-3)12-13-10-8-7-9-11-13/h3,9H,4-8H2,1-2H3,(H,17,18)(H,15,16,19);7-11H,4-6,12H2,1-3H3/q;+1/p-1/b10-3-;