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

Systemtic Name: [[2-(3-methyl-1,3-thiazol-3-ium-2-yl)phenoxy]-phenoxy-phosphoryl] N-octadecylcarbamate Openeye Name: [[2-(3-methylthiazol-3-ium-2-yl)phenoxy]-phenoxy-phosphoryl] N-octadecylcarbamate CAS Name: N-octadecylcarbamic acid [[2-(3-methyl-2-thiazol-3-iumyl)phenoxy]-phenoxyphosphoryl] ester IUPAC Name: [[2-(3-methyl-1,3-thiazol-3-ium-2-yl)phenoxy]-phenoxyphosphoryl] N-octadecylcarbamate Traditional Name: N-stearylcarbamic acid [[2-(3-methylthiazol-3-ium-2-yl)phenoxy]-phenoxy-phosphoryl] ester Formula: C35H52N2O5PS+ MolecularWeight: 643.836541

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)OP(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2C3=[N+](C=CS3)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)OP(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2C3=[N+](C=CS3)C

InChI

InChI=1S/C35H51N2O5PS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-28-36-35(38)42-43(39,40-31-24-19-18-20-25-31)41-33-27-22-21-26-32(33)34-37(2)29-30-44-34/h18-22,24-27,29-30H,3-17,23,28H2,1-2H3/p+1