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

Systemtic Name: [4-(hexadecoxymethyl)oxolan-2-yl]methyl 2-azanyl-1-methyl-pyridin-1-ium-3-carboxylate Openeye Name: [4-(hexadecoxymethyl)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-(hexadecoxymethyl)-2-oxolanyl]methyl ester IUPAC Name: [4-(hexadecoxymethyl)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-(cetyloxymethyl)tetrahydrofuran-2-yl]methyl ester Formula: C29H51N2O4+ MolecularWeight: 491.72624

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC1CC(OC1)COC(=O)C2=C([N+](=CC=C2)C)N

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC1CC(OC1)COC(=O)C2=C([N+](=CC=C2)C)N

InChI

InChI=1S/C29H50N2O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-33-22-25-21-26(34-23-25)24-35-29(32)27-18-17-19-31(2)28(27)30/h17-19,25-26,30H,3-16,20-24H2,1-2H3/p+1