(3-hexadecoxy-2-methoxy-propyl) [4-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl] hydrogen phosphate

Systemtic Name: (3-hexadecoxy-2-methoxy-propyl) [4-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl] hydrogen phosphate Openeye Name: (3-hexadecoxy-2-methoxy-propyl) [4-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl] hydrogen phosphate CAS Name: (3-hexadecoxy-2-methoxypropyl) [4-[(5-methyl-3-thiazol-3-iumyl)methyl]phenyl] hydrogen phosphate IUPAC Name: (3-hexadecoxy-2-methoxypropyl) [4-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl] hydrogen phosphate Traditional Name: (3-cetyloxy-2-methoxy-propyl) [4-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl] hydrogen phosphate Formula: C31H53NO6PS+ MolecularWeight: 598.794381

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H52NO6PS/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-36-25-31(35-3)26-37-39(33,34)38-30-20-18-29(19-21-30)24-32-23-28(2)40-27-32/h18-21,23,27,31H,4-17,22,24-26H2,1-3H3/p+1