hexylazanium; (E)-2-methyl-3-(4-methyl-5-oxidanylidene-4-propan-2-yl-1H-imidazol-2-yl)but-2-enoate

Systemtic Name: hexylazanium; (E)-2-methyl-3-(4-methyl-5-oxidanylidene-4-propan-2-yl-1H-imidazol-2-yl)but-2-enoate Openeye Name: hexylammonium; (E)-3-(4-isopropyl-4-methyl-5-oxo-1H-imidazol-2-yl)-2-methyl-but-2-enoate CAS Name: hexylammonium; (E)-2-methyl-3-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-2-butenoate IUPAC Name: hexylazanium; (E)-2-methyl-3-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)but-2-enoate Traditional Name: hexylammonium; (E)-3-(4-isopropyl-5-keto-4-methyl-2-imidazolin-2-yl)-2-methyl-but-2-enoate Formula: C18H33N3O3 MolecularWeight: 339.47292

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[NH3+].CC(C)C1(C(=O)NC(=N1)C(=C(C)C(=O)[O-])C)C

Isomeric SMILES

CCCCCC[NH3+].CC(C)C1(C(=O)NC(=N1)/C(=C(\C)/C(=O)[O-])/C)C

InChI

InChI=1S/C12H18N2O3.C6H15N/c1-6(2)12(5)11(17)13-9(14-12)7(3)8(4)10(15)16;1-2-3-4-5-6-7/h6H,1-5H3,(H,15,16)(H,13,14,17);2-7H2,1H3/b8-7+;