(2Z)-2-[2-methyl-1-(4-methyl-5-oxidanylidene-4-propan-2-yl-1H-imidazol-2-yl)propylidene]hexanoate; piperidin-1-ium

Systemtic Name: (2Z)-2-[2-methyl-1-(4-methyl-5-oxidanylidene-4-propan-2-yl-1H-imidazol-2-yl)propylidene]hexanoate; piperidin-1-ium Openeye Name: (2Z)-2-[1-(4-isopropyl-4-methyl-5-oxo-1H-imidazol-2-yl)-2-methyl-propylidene]hexanoate; piperidin-1-ium CAS Name: (2Z)-2-[2-methyl-1-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)propylidene]hexanoate; piperidin-1-ium IUPAC Name: (2Z)-2-[2-methyl-1-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)propylidene]hexanoate; piperidin-1-ium Traditional Name: (Z)-2-butyl-3-(4-isopropyl-5-keto-4-methyl-2-imidazolin-2-yl)-4-methyl-pent-2-enoate; piperidin-1-ium Formula: C22H39N3O3 MolecularWeight: 393.56336

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=C(C1=NC(C(=O)N1)(C)C(C)C)C(C)C)C(=O)[O-].C1CC[NH2+]CC1

Isomeric SMILES

CCCC/C(=C(/C1=NC(C(=O)N1)(C)C(C)C)\C(C)C)/C(=O)[O-].C1CC[NH2+]CC1

InChI

InChI=1S/C17H28N2O3.C5H11N/c1-7-8-9-12(15(20)21)13(10(2)3)14-18-16(22)17(6,19-14)11(4)5;1-2-4-6-5-3-1/h10-11H,7-9H2,1-6H3,(H,20,21)(H,18,19,22);6H,1-5H2/b13-12-;