methyl N-[3-[3-(2-pyridin-1-ium-1-ylethylperoxy)propoxy]octadecan-2-yl]carbamate chloride

Systemtic Name: methyl N-[3-[3-(2-pyridin-1-ium-1-ylethylperoxy)propoxy]octadecan-2-yl]carbamate chloride Openeye Name: methyl N-[1-methyl-2-[3-(2-pyridin-1-ium-1-ylethylperoxy)propoxy]heptadecyl]carbamate chloride CAS Name: N-[3-[3-[2-(1-pyridin-1-iumyl)ethyldioxy]propoxy]octadecan-2-yl]carbamic acid methyl ester chloride IUPAC Name: methyl N-[3-[3-(2-pyridin-1-ium-1-ylethylperoxy)propoxy]octadecan-2-yl]carbamate chloride Traditional Name: N-[1-methyl-2-[3-(2-pyridin-1-ium-1-ylethylperoxy)propoxy]heptadecyl]carbamic acid methyl ester chloride Formula: C30H55ClN2O5 MolecularWeight: 559.2211

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(C(C)NC(=O)OC)OCCCOOCC[N+]1=CC=CC=C1.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCC(C(C)NC(=O)OC)OCCCOOCC[N+]1=CC=CC=C1.[Cl-]

InChI

InChI=1S/C30H54N2O5.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-17-21-29(28(2)31-30(33)34-3)35-25-20-26-36-37-27-24-32-22-18-16-19-23-32;/h16,18-19,22-23,28-29H,4-15,17,20-21,24-27H2,1-3H3;1H