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

Systemtic Name: [2-(aminocarbonyloxymethyl)-4-heptadecyl-oxolan-2-yl]methyl 2-azanyl-1-methyl-pyridin-1-ium-3-carboxylate Openeye Name: [2-(carbamoyloxymethyl)-4-heptadecyl-tetrahydrofuran-2-yl]methyl 2-amino-1-methyl-pyridin-1-ium-3-carboxylate CAS Name: 2-amino-1-methyl-3-pyridin-1-iumcarboxylic acid [2-(carbamoyloxymethyl)-4-heptadecyl-2-oxolanyl]methyl ester IUPAC Name: [2-(carbamoyloxymethyl)-4-heptadecyloxolan-2-yl]methyl 2-amino-1-methylpyridin-1-ium-3-carboxylate Traditional Name: 2-amino-1-methyl-pyridin-1-ium-3-carboxylic acid [2-(carbamoyloxymethyl)-4-heptadecyl-tetrahydrofuran-2-yl]methyl ester Formula: C31H54N3O5+ MolecularWeight: 548.77756

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1CC(OC1)(COC(=O)C2=C([N+](=CC=C2)C)N)COC(=O)N

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1CC(OC1)(COC(=O)C2=C([N+](=CC=C2)C)N)COC(=O)N

InChI

InChI=1S/C31H53N3O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-26-22-31(39-23-26,25-38-30(33)36)24-37-29(35)27-20-18-21-34(2)28(27)32/h18,20-21,26,32H,3-17,19,22-25H2,1-2H3,(H2,33,36)/p+1