(2-methoxy-3-tetradecoxy-propyl) [3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl] hydrogen phosphate

Systemtic Name: (2-methoxy-3-tetradecoxy-propyl) [3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl] hydrogen phosphate Openeye Name: (2-methoxy-3-tetradecoxy-propyl) [3-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl] hydrogen phosphate CAS Name: (2-methoxy-3-tetradecoxypropyl) [3-[(5-methyl-3-thiazol-3-iumyl)methyl]phenyl] hydrogen phosphate IUPAC Name: (2-methoxy-3-tetradecoxypropyl) [3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl] hydrogen phosphate Traditional Name: (2-methoxy-3-myristyloxy-propyl) [3-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl] hydrogen phosphate Formula: C29H49NO6PS+ MolecularWeight: 570.741221

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOCC(COP(=O)(O)OC1=CC=CC(=C1)C[N+]2=CSC(=C2)C)OC

Isomeric SMILES

CCCCCCCCCCCCCCOCC(COP(=O)(O)OC1=CC=CC(=C1)C[N+]2=CSC(=C2)C)OC

InChI

InChI=1S/C29H48NO6PS/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-34-23-29(33-3)24-35-37(31,32)36-28-18-16-17-27(20-28)22-30-21-26(2)38-25-30/h16-18,20-21,25,29H,4-15,19,22-24H2,1-3H3/p+1