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

Systemtic Name: [1-octadecoxy-3-(3-pyridin-1-ium-1-ylpropanoylamino)propan-2-yl] N-methylcarbamate bromide Openeye Name: [1-(octadecoxymethyl)-2-(3-pyridin-1-ium-1-ylpropanoylamino)ethyl] N-methylcarbamate bromide CAS Name: N-methylcarbamic acid [1-octadecoxy-3-[[1-oxo-3-(1-pyridin-1-iumyl)propyl]amino]propan-2-yl] ester bromide IUPAC Name: [1-octadecoxy-3-(3-pyridin-1-ium-1-ylpropanoylamino)propan-2-yl] N-methylcarbamate bromide Traditional Name: N-methylcarbamic acid [1-[(3-pyridin-1-ium-1-ylpropanoylamino)methyl]-2-stearyloxy-ethyl] ester bromide Formula: C31H56BrN3O4 MolecularWeight: 614.69804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H55N3O4.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26-37-28-29(38-31(36)32-2)27-33-30(35)22-25-34-23-19-18-20-24-34;/h18-20,23-24,29H,3-17,21-22,25-28H2,1-2H3,(H-,32,33,35,36);1H