[(3-hexadecoxyphenyl)-(1,3-thiazol-3-ium-3-yl)methyl] 2-methoxypropyl hydrogen phosphate

Systemtic Name: [(3-hexadecoxyphenyl)-(1,3-thiazol-3-ium-3-yl)methyl] 2-methoxypropyl hydrogen phosphate Openeye Name: [(3-hexadecoxyphenyl)-thiazol-3-ium-3-yl-methyl] 2-methoxypropyl hydrogen phosphate CAS Name: [(3-hexadecoxyphenyl)-(3-thiazol-3-iumyl)methyl] 2-methoxypropyl hydrogen phosphate IUPAC Name: [(3-hexadecoxyphenyl)-(1,3-thiazol-3-ium-3-yl)methyl] 2-methoxypropyl hydrogen phosphate Traditional Name: [(3-cetyloxyphenyl)-thiazol-3-ium-3-yl-methyl] 2-methoxypropyl hydrogen phosphate Formula: C30H51NO6PS+ MolecularWeight: 584.767801

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC=CC(=C1)C([N+]2=CSC=C2)OP(=O)(O)OCC(C)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC=CC(=C1)C([N+]2=CSC=C2)OP(=O)(O)OCC(C)OC

InChI

InChI=1S/C30H50NO6PS/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-35-29-20-18-19-28(24-29)30(31-21-23-39-26-31)37-38(32,33)36-25-27(2)34-3/h18-21,23-24,26-27,30H,4-17,22,25H2,1-3H3/p+1