[[2-(3,5-dimethyl-1,3-thiazol-3-ium-2-yl)phenoxy]-phenoxy-phosphoryl] N-octadecylcarbamate

Systemtic Name: [[2-(3,5-dimethyl-1,3-thiazol-3-ium-2-yl)phenoxy]-phenoxy-phosphoryl] N-octadecylcarbamate Openeye Name: [[2-(3,5-dimethylthiazol-3-ium-2-yl)phenoxy]-phenoxy-phosphoryl] N-octadecylcarbamate CAS Name: N-octadecylcarbamic acid [[2-(3,5-dimethyl-2-thiazol-3-iumyl)phenoxy]-phenoxyphosphoryl] ester IUPAC Name: [[2-(3,5-dimethyl-1,3-thiazol-3-ium-2-yl)phenoxy]-phenoxyphosphoryl] N-octadecylcarbamate Traditional Name: N-stearylcarbamic acid [[2-(3,5-dimethylthiazol-3-ium-2-yl)phenoxy]-phenoxy-phosphoryl] ester Formula: C36H54N2O5PS+ MolecularWeight: 657.863121

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)OP(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2C3=[N+](C=C(S3)C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)OP(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2C3=[N+](C=C(S3)C)C

InChI

InChI=1S/C36H53N2O5PS/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-29-37-36(39)43-44(40,41-32-25-20-19-21-26-32)42-34-28-23-22-27-33(34)35-38(3)30-31(2)45-35/h19-23,25-28,30H,4-18,24,29H2,1-3H3/p+1