1-(4-cyclohexyl-2-oxidanylidene-butanoyl)-1-propyl-3-pyridin-3-yl-pyrrolidin-1-ium-2-carboxylic acid

Systemtic Name: 1-(4-cyclohexyl-2-oxidanylidene-butanoyl)-1-propyl-3-pyridin-3-yl-pyrrolidin-1-ium-2-carboxylic acid Openeye Name: 1-(4-cyclohexyl-2-oxo-butanoyl)-1-propyl-3-(3-pyridyl)pyrrolidin-1-ium-2-carboxylic acid CAS Name: 1-(4-cyclohexyl-1,2-dioxobutyl)-1-propyl-3-(3-pyridinyl)-2-pyrrolidin-1-iumcarboxylic acid IUPAC Name: 1-(4-cyclohexyl-2-oxobutanoyl)-1-propyl-3-pyridin-3-ylpyrrolidin-1-ium-2-carboxylic acid Traditional Name: 1-(4-cyclohexyl-2-keto-butanoyl)-1-propyl-3-(3-pyridyl)pyrrolidin-1-ium-2-carboxylic acid Formula: C23H33N2O4+ MolecularWeight: 401.51912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32N2O4/c1-2-14-25(22(27)20(26)11-10-17-7-4-3-5-8-17)15-12-19(21(25)23(28)29)18-9-6-13-24-16-18/h6,9,13,16-17,19,21H,2-5,7-8,10-12,14-15H2,1H3/p+1