(E)-3-cyclohexyl-2-methyl-3-(4-methyl-5-oxidanylidene-4-propan-2-yl-1H-imidazol-2-yl)prop-2-enoate; pyrrolidin-1-ium

Systemtic Name: (E)-3-cyclohexyl-2-methyl-3-(4-methyl-5-oxidanylidene-4-propan-2-yl-1H-imidazol-2-yl)prop-2-enoate; pyrrolidin-1-ium Openeye Name: (E)-3-cyclohexyl-3-(4-isopropyl-4-methyl-5-oxo-1H-imidazol-2-yl)-2-methyl-prop-2-enoate; pyrrolidin-1-ium CAS Name: (E)-3-cyclohexyl-2-methyl-3-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-2-propenoate; pyrrolidin-1-ium IUPAC Name: (E)-3-cyclohexyl-2-methyl-3-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)prop-2-enoate; pyrrolidin-1-ium Traditional Name: (E)-3-cyclohexyl-3-(4-isopropyl-5-keto-4-methyl-2-imidazolin-2-yl)-2-methyl-acrylate; pyrrolidin-1-ium Formula: C21H35N3O3 MolecularWeight: 377.5209

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1(C(=O)NC(=N1)C(=C(C)C(=O)[O-])C2CCCCC2)C.C1CC[NH2+]C1

Isomeric SMILES

CC(C)C1(C(=O)NC(=N1)/C(=C(\C)/C(=O)[O-])/C2CCCCC2)C.C1CC[NH2+]C1

InChI

InChI=1S/C17H26N2O3.C4H9N/c1-10(2)17(4)16(22)18-14(19-17)13(11(3)15(20)21)12-8-6-5-7-9-12;1-2-4-5-3-1/h10,12H,5-9H2,1-4H3,(H,20,21)(H,18,19,22);5H,1-4H2/b13-11+;