(4-hexadecoxy-2-methyl-oxolan-2-yl)methyl 1-azanylpyridin-1-ium-2-carboxylate

Systemtic Name: (4-hexadecoxy-2-methyl-oxolan-2-yl)methyl 1-azanylpyridin-1-ium-2-carboxylate Openeye Name: (4-hexadecoxy-2-methyl-tetrahydrofuran-2-yl)methyl 1-aminopyridin-1-ium-2-carboxylate CAS Name: 1-amino-2-pyridin-1-iumcarboxylic acid (4-hexadecoxy-2-methyl-2-oxolanyl)methyl ester IUPAC Name: (4-hexadecoxy-2-methyloxolan-2-yl)methyl 1-aminopyridin-1-ium-2-carboxylate Traditional Name: 1-aminopyridin-1-ium-2-carboxylic acid (4-cetyloxy-2-methyl-tetrahydrofuran-2-yl)methyl ester Formula: C28H49N2O4+ MolecularWeight: 477.69966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1CC(OC1)(C)COC(=O)C2=CC=CC=[N+]2N

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1CC(OC1)(C)COC(=O)C2=CC=CC=[N+]2N

InChI

InChI=1S/C28H48N2O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-32-25-22-28(2,34-23-25)24-33-27(31)26-19-16-17-20-30(26)29/h16-17,19-20,25H,3-15,18,21-24H2,1-2H3,(H-,29,31)/p+1