methyl 6-[2-(2-hexadecoxy-2-methyl-oxetan-3-yl)pyridin-1-ium-1-yl]hexanoate

Systemtic Name: methyl 6-[2-(2-hexadecoxy-2-methyl-oxetan-3-yl)pyridin-1-ium-1-yl]hexanoate Openeye Name: methyl 6-[2-(2-hexadecoxy-2-methyl-oxetan-3-yl)pyridin-1-ium-1-yl]hexanoate CAS Name: 6-[2-(2-hexadecoxy-2-methyl-3-oxetanyl)-1-pyridin-1-iumyl]hexanoic acid methyl ester IUPAC Name: methyl 6-[2-(2-hexadecoxy-2-methyloxetan-3-yl)pyridin-1-ium-1-yl]hexanoate Traditional Name: 6-[2-(2-cetyloxy-2-methyl-oxetan-3-yl)pyridin-1-ium-1-yl]hexanoic acid methyl ester Formula: C32H56NO4+ MolecularWeight: 518.79134

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1(C(CO1)C2=CC=CC=[N+]2CCCCCC(=O)OC)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1(C(CO1)C2=CC=CC=[N+]2CCCCCC(=O)OC)C

InChI

InChI=1S/C32H56NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-22-27-36-32(2)29(28-37-32)30-23-19-21-26-33(30)25-20-17-18-24-31(34)35-3/h19,21,23,26,29H,4-18,20,22,24-25,27-28H2,1-3H3/q+1