[1-octadecoxy-3-(4-pyridin-1-ium-1-ylbutoxy)propan-2-yl] N-methylcarbamate bromide

Systemtic Name: [1-octadecoxy-3-(4-pyridin-1-ium-1-ylbutoxy)propan-2-yl] N-methylcarbamate bromide Openeye Name: [1-(octadecoxymethyl)-2-(4-pyridin-1-ium-1-ylbutoxy)ethyl] N-methylcarbamate bromide CAS Name: N-methylcarbamic acid [1-octadecoxy-3-[4-(1-pyridin-1-iumyl)butoxy]propan-2-yl] ester bromide IUPAC Name: [1-octadecoxy-3-(4-pyridin-1-ium-1-ylbutoxy)propan-2-yl] N-methylcarbamate bromide Traditional Name: N-methylcarbamic acid [1-(4-pyridin-1-ium-1-ylbutoxymethyl)-2-stearyloxy-ethyl] ester bromide Formula: C32H59BrN2O4 MolecularWeight: 615.72586

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(COCCCC[N+]1=CC=CC=C1)OC(=O)NC.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(COCCCC[N+]1=CC=CC=C1)OC(=O)NC.[Br-]

InChI

InChI=1S/C32H58N2O4.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-27-36-29-31(38-32(35)33-2)30-37-28-23-21-26-34-24-19-18-20-25-34;/h18-20,24-25,31H,3-17,21-23,26-30H2,1-2H3;1H