[4-(heptadecylcarbamoyloxy)-2-methyl-oxolan-2-yl]methyl 2-azanyl-1-methyl-pyridin-1-ium-3-carboxylate iodide

Systemtic Name: [4-(heptadecylcarbamoyloxy)-2-methyl-oxolan-2-yl]methyl 2-azanyl-1-methyl-pyridin-1-ium-3-carboxylate iodide Openeye Name: [4-(heptadecylcarbamoyloxy)-2-methyl-tetrahydrofuran-2-yl]methyl 2-amino-1-methyl-pyridin-1-ium-3-carboxylate iodide CAS Name: 2-amino-1-methyl-3-pyridin-1-iumcarboxylic acid [4-[(heptadecylamino)-oxomethoxy]-2-methyl-2-oxolanyl]methyl ester iodide IUPAC Name: [4-(heptadecylcarbamoyloxy)-2-methyloxolan-2-yl]methyl 2-amino-1-methylpyridin-1-ium-3-carboxylate iodide Traditional Name: 2-amino-1-methyl-pyridin-1-ium-3-carboxylic acid [4-(heptadecylcarbamoyloxy)-2-methyl-tetrahydrofuran-2-yl]methyl ester iodide Formula: C31H54IN3O5 MolecularWeight: 675.68203

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCNC(=O)OC1CC(OC1)(C)COC(=O)C2=C([N+](=CC=C2)C)N.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCNC(=O)OC1CC(OC1)(C)COC(=O)C2=C([N+](=CC=C2)C)N.[I-]

InChI

InChI=1S/C31H53N3O5.HI/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-33-30(36)39-26-23-31(2,38-24-26)25-37-29(35)27-20-19-22-34(3)28(27)32;/h19-20,22,26,32H,4-18,21,23-25H2,1-3H3,(H,33,36);1H