[2-hexadecoxy-6-[3-methyl-2-(2-methylpropyl)-1,3-thiazol-3-ium-4-yl]phenyl] 2-methoxypropyl hydrogen phosphate

Systemtic Name: [2-hexadecoxy-6-[3-methyl-2-(2-methylpropyl)-1,3-thiazol-3-ium-4-yl]phenyl] 2-methoxypropyl hydrogen phosphate Openeye Name: [2-hexadecoxy-6-(2-isobutyl-3-methyl-thiazol-3-ium-4-yl)phenyl] 2-methoxypropyl hydrogen phosphate CAS Name: [2-hexadecoxy-6-[3-methyl-2-(2-methylpropyl)-4-thiazol-3-iumyl]phenyl] 2-methoxypropyl hydrogen phosphate IUPAC Name: [2-hexadecoxy-6-[3-methyl-2-(2-methylpropyl)-1,3-thiazol-3-ium-4-yl]phenyl] 2-methoxypropyl hydrogen phosphate Traditional Name: [2-cetyloxy-6-(2-isobutyl-3-methyl-thiazol-3-ium-4-yl)phenyl] 2-methoxypropyl hydrogen phosphate Formula: C34H59NO6PS+ MolecularWeight: 640.874121

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC=CC(=C1OP(=O)(O)OCC(C)OC)C2=CSC(=[N+]2C)CC(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC=CC(=C1OP(=O)(O)OCC(C)OC)C2=CSC(=[N+]2C)CC(C)C

InChI

InChI=1S/C34H58NO6PS/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-39-32-23-21-22-30(31-27-43-33(35(31)5)25-28(2)3)34(32)41-42(36,37)40-26-29(4)38-6/h21-23,27-29H,7-20,24-26H2,1-6H3/p+1