[2-methoxy-2-methyl-3-[[3-(phenylmethyl)-1,3-thiazol-3-ium-2-yl]methoxy]propyl] N-methyl-N-octadecyl-carbamate

Systemtic Name: [2-methoxy-2-methyl-3-[[3-(phenylmethyl)-1,3-thiazol-3-ium-2-yl]methoxy]propyl] N-methyl-N-octadecyl-carbamate Openeye Name: [3-[(3-benzylthiazol-3-ium-2-yl)methoxy]-2-methoxy-2-methyl-propyl] N-methyl-N-octadecyl-carbamate CAS Name: N-methyl-N-octadecylcarbamic acid [2-methoxy-2-methyl-3-[[3-(phenylmethyl)-2-thiazol-3-iumyl]methoxy]propyl] ester IUPAC Name: [3-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methoxy]-2-methoxy-2-methylpropyl] N-methyl-N-octadecylcarbamate Traditional Name: N-methyl-N-stearyl-carbamic acid [3-[(3-benzylthiazol-3-ium-2-yl)methoxy]-2-methoxy-2-methyl-propyl] ester Formula: C36H61N2O4S+ MolecularWeight: 617.94554

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(C)C(=O)OCC(C)(COCC1=[N+](C=CS1)CC2=CC=CC=C2)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(C)C(=O)OCC(C)(COCC1=[N+](C=CS1)CC2=CC=CC=C2)OC

InChI

InChI=1S/C36H61N2O4S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-26-37(3)35(39)42-32-36(2,40-4)31-41-30-34-38(27-28-43-34)29-33-24-21-20-22-25-33/h20-22,24-25,27-28H,5-19,23,26,29-32H2,1-4H3/q+1