1-(4-cyclohexyl-2-oxidanylidene-butanoyl)-3-phenyl-1-propyl-pyrrolidin-1-ium-2-carboxylate

Systemtic Name: 1-(4-cyclohexyl-2-oxidanylidene-butanoyl)-3-phenyl-1-propyl-pyrrolidin-1-ium-2-carboxylate Openeye Name: 1-(4-cyclohexyl-2-oxo-butanoyl)-3-phenyl-1-propyl-pyrrolidin-1-ium-2-carboxylate CAS Name: 1-(4-cyclohexyl-1,2-dioxobutyl)-3-phenyl-1-propyl-2-pyrrolidin-1-iumcarboxylate IUPAC Name: 1-(4-cyclohexyl-2-oxobutanoyl)-3-phenyl-1-propylpyrrolidin-1-ium-2-carboxylate Traditional Name: 1-(4-cyclohexyl-2-keto-butanoyl)-3-phenyl-1-propyl-pyrrolidin-1-ium-2-carboxylate Formula: C24H33NO4 MolecularWeight: 399.52312

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1(CCC(C1C(=O)[O-])C2=CC=CC=C2)C(=O)C(=O)CCC3CCCCC3

Isomeric SMILES

CCC[N+]1(CCC(C1C(=O)[O-])C2=CC=CC=C2)C(=O)C(=O)CCC3CCCCC3

InChI

InChI=1S/C24H33NO4/c1-2-16-25(23(27)21(26)14-13-18-9-5-3-6-10-18)17-15-20(22(25)24(28)29)19-11-7-4-8-12-19/h4,7-8,11-12,18,20,22H,2-3,5-6,9-10,13-17H2,1H3