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

Systemtic Name: [2-(aminocarbonyloxymethyl)-4-pentadecyl-oxolan-2-yl]methyl 2-azanyl-1-methyl-pyridin-1-ium-3-carboxylate Openeye Name: [2-(carbamoyloxymethyl)-4-pentadecyl-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-pentadecyl-2-oxolanyl]methyl ester IUPAC Name: [2-(carbamoyloxymethyl)-4-pentadecyloxolan-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-pentadecyl-tetrahydrofuran-2-yl]methyl ester Formula: C29H50N3O5+ MolecularWeight: 520.7244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1CC(OC1)(COC(=O)C2=C([N+](=CC=C2)C)N)COC(=O)N

Isomeric SMILES

CCCCCCCCCCCCCCCC1CC(OC1)(COC(=O)C2=C([N+](=CC=C2)C)N)COC(=O)N

InChI

InChI=1S/C29H49N3O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-24-20-29(37-21-24,23-36-28(31)34)22-35-27(33)25-18-16-19-32(2)26(25)30/h16,18-19,24,30H,3-15,17,20-23H2,1-2H3,(H2,31,34)/p+1