(4-hexadecoxy-2-methyl-oxolan-2-yl)methyl 2-azanyl-1-methyl-pyridin-1-ium-3-carboxylate chloride

Systemtic Name: (4-hexadecoxy-2-methyl-oxolan-2-yl)methyl 2-azanyl-1-methyl-pyridin-1-ium-3-carboxylate chloride Openeye Name: (4-hexadecoxy-2-methyl-tetrahydrofuran-2-yl)methyl 2-amino-1-methyl-pyridin-1-ium-3-carboxylate chloride CAS Name: 2-amino-1-methyl-3-pyridin-1-iumcarboxylic acid (4-hexadecoxy-2-methyl-2-oxolanyl)methyl ester chloride IUPAC Name: (4-hexadecoxy-2-methyloxolan-2-yl)methyl 2-amino-1-methylpyridin-1-ium-3-carboxylate chloride Traditional Name: 2-amino-1-methyl-pyridin-1-ium-3-carboxylic acid (4-cetyloxy-2-methyl-tetrahydrofuran-2-yl)methyl ester chloride Formula: C29H51ClN2O4 MolecularWeight: 527.17924

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1CC(OC1)(C)COC(=O)C2=C([N+](=CC=C2)C)N.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1CC(OC1)(C)COC(=O)C2=C([N+](=CC=C2)C)N.[Cl-]

InChI

InChI=1S/C29H50N2O4.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-33-25-22-29(2,35-23-25)24-34-28(32)26-19-18-20-31(3)27(26)30;/h18-20,25,30H,4-17,21-24H2,1-3H3;1H