1-[2-(2-methyl-5-oxidanylidene-4-propyl-oxolan-2-yl)-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide

Systemtic Name: 1-[2-(2-methyl-5-oxidanylidene-4-propyl-oxolan-2-yl)-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide Openeye Name: 1-[2-(2-methyl-5-oxo-4-propyl-tetrahydrofuran-2-yl)-2-oxo-ethyl]pyridin-1-ium-3-carboxamide CAS Name: 1-[2-(2-methyl-5-oxo-4-propyl-2-oxolanyl)-2-oxoethyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[2-(2-methyl-5-oxo-4-propyloxolan-2-yl)-2-oxoethyl]pyridin-1-ium-3-carboxamide Traditional Name: 1-[2-keto-2-(5-keto-2-methyl-4-propyl-tetrahydrofuran-2-yl)ethyl]pyridin-1-ium-3-carboxamide Formula: C16H21N2O4+ MolecularWeight: 305.34894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1CC(OC1=O)(C)C(=O)C[N+]2=CC=CC(=C2)C(=O)N

Isomeric SMILES

CCCC1CC(OC1=O)(C)C(=O)C[N+]2=CC=CC(=C2)C(=O)N

InChI

InChI=1S/C16H20N2O4/c1-3-5-11-8-16(2,22-15(11)21)13(19)10-18-7-4-6-12(9-18)14(17)20/h4,6-7,9,11H,3,5,8,10H2,1-2H3,(H-,17,20)/p+1