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

Systemtic Name: 1-(2-cyclohexyl-2-oxidanylidene-ethanoyl)-1-propyl-3-pyridin-3-yl-pyrrolidin-1-ium-2-carboxylic acid Openeye Name: 1-(2-cyclohexyl-2-oxo-acetyl)-1-propyl-3-(3-pyridyl)pyrrolidin-1-ium-2-carboxylic acid CAS Name: 1-(2-cyclohexyl-1,2-dioxoethyl)-1-propyl-3-(3-pyridinyl)-2-pyrrolidin-1-iumcarboxylic acid IUPAC Name: 1-(2-cyclohexyl-2-oxoacetyl)-1-propyl-3-pyridin-3-ylpyrrolidin-1-ium-2-carboxylic acid Traditional Name: 1-(2-cyclohexyl-2-keto-acetyl)-1-propyl-3-(3-pyridyl)pyrrolidin-1-ium-2-carboxylic acid Formula: C21H29N2O4+ MolecularWeight: 373.46596

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1(CCC(C1C(=O)O)C2=CN=CC=C2)C(=O)C(=O)C3CCCCC3

Isomeric SMILES

CCC[N+]1(CCC(C1C(=O)O)C2=CN=CC=C2)C(=O)C(=O)C3CCCCC3

InChI

InChI=1S/C21H28N2O4/c1-2-12-23(20(25)19(24)15-7-4-3-5-8-15)13-10-17(18(23)21(26)27)16-9-6-11-22-14-16/h6,9,11,14-15,17-18H,2-5,7-8,10,12-13H2,1H3/p+1