[2-hexadecoxy-6-(1-methylpyridin-1-ium-2-yl)phenyl] 2-methoxypropyl hydrogen phosphate

Systemtic Name: [2-hexadecoxy-6-(1-methylpyridin-1-ium-2-yl)phenyl] 2-methoxypropyl hydrogen phosphate Openeye Name: [2-hexadecoxy-6-(1-methylpyridin-1-ium-2-yl)phenyl] 2-methoxypropyl hydrogen phosphate CAS Name: [2-hexadecoxy-6-(1-methyl-2-pyridin-1-iumyl)phenyl] 2-methoxypropyl hydrogen phosphate IUPAC Name: [2-hexadecoxy-6-(1-methylpyridin-1-ium-2-yl)phenyl] 2-methoxypropyl hydrogen phosphate Traditional Name: [2-cetyloxy-6-(1-methylpyridin-1-ium-2-yl)phenyl] 2-methoxypropyl hydrogen phosphate Formula: C32H53NO6P+ MolecularWeight: 578.740081

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H52NO6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20-26-37-31-24-21-22-29(30-23-18-19-25-33(30)3)32(31)39-40(34,35)38-27-28(2)36-4/h18-19,21-25,28H,5-17,20,26-27H2,1-4H3/p+1