methanesulfonate; [2-methoxy-3-(3-pyridin-1-ium-1-ylpropylsulfonyl)propyl] N-octadecylcarbamate

Systemtic Name: methanesulfonate; [2-methoxy-3-(3-pyridin-1-ium-1-ylpropylsulfonyl)propyl] N-octadecylcarbamate Openeye Name: methanesulfonate; [2-methoxy-3-(3-pyridin-1-ium-1-ylpropylsulfonyl)propyl] N-octadecylcarbamate CAS Name: methanesulfonate; N-octadecylcarbamic acid [2-methoxy-3-[3-(1-pyridin-1-iumyl)propylsulfonyl]propyl] ester IUPAC Name: methanesulfonate; [2-methoxy-3-(3-pyridin-1-ium-1-ylpropylsulfonyl)propyl] N-octadecylcarbamate Traditional Name: N-stearylcarbamic acid [2-methoxy-3-(3-pyridin-1-ium-1-ylpropylsulfonyl)propyl] ester mesylate Formula: C32H60N2O8S2 MolecularWeight: 664.9574

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)OCC(CS(=O)(=O)CCC[N+]1=CC=CC=C1)OC.CS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)OCC(CS(=O)(=O)CCC[N+]1=CC=CC=C1)OC.CS(=O)(=O)[O-]

InChI

InChI=1S/C31H56N2O5S.CH4O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-23-32-31(34)38-28-30(37-2)29-39(35,36)27-22-26-33-24-20-18-21-25-33;1-5(2,3)4/h18,20-21,24-25,30H,3-17,19,22-23,26-29H2,1-2H3;1H3,(H,2,3,4)