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

Systemtic Name: [4-(tetradecoxymethyl)oxolan-2-yl]methyl 2-azanyl-1-methyl-pyridin-1-ium-3-carboxylate Openeye Name: [4-(tetradecoxymethyl)tetrahydrofuran-2-yl]methyl 2-amino-1-methyl-pyridin-1-ium-3-carboxylate CAS Name: 2-amino-1-methyl-3-pyridin-1-iumcarboxylic acid [4-(tetradecoxymethyl)-2-oxolanyl]methyl ester IUPAC Name: [4-(tetradecoxymethyl)oxolan-2-yl]methyl 2-amino-1-methylpyridin-1-ium-3-carboxylate Traditional Name: 2-amino-1-methyl-pyridin-1-ium-3-carboxylic acid [4-(myristyloxymethyl)tetrahydrofuran-2-yl]methyl ester Formula: C27H47N2O4+ MolecularWeight: 463.67308

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOCC1CC(OC1)COC(=O)C2=C([N+](=CC=C2)C)N

Isomeric SMILES

CCCCCCCCCCCCCCOCC1CC(OC1)COC(=O)C2=C([N+](=CC=C2)C)N

InChI

InChI=1S/C27H46N2O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-18-31-20-23-19-24(32-21-23)22-33-27(30)25-16-15-17-29(2)26(25)28/h15-17,23-24,28H,3-14,18-22H2,1-2H3/p+1