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

Systemtic Name: [2-hexadecoxy-6-(2-methylisoquinolin-2-ium-1-yl)phenyl] 2-methoxypropyl hydrogen phosphate Openeye Name: [2-hexadecoxy-6-(2-methylisoquinolin-2-ium-1-yl)phenyl] 2-methoxypropyl hydrogen phosphate CAS Name: [2-hexadecoxy-6-(2-methyl-1-isoquinolin-2-iumyl)phenyl] 2-methoxypropyl hydrogen phosphate IUPAC Name: [2-hexadecoxy-6-(2-methylisoquinolin-2-ium-1-yl)phenyl] 2-methoxypropyl hydrogen phosphate Traditional Name: [2-cetyloxy-6-(2-methylisoquinolin-2-ium-1-yl)phenyl] 2-methoxypropyl hydrogen phosphate Formula: C36H55NO6P+ MolecularWeight: 628.798761

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC=CC(=C1OP(=O)(O)OCC(C)OC)C2=[N+](C=CC3=CC=CC=C32)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC=CC(=C1OP(=O)(O)OCC(C)OC)C2=[N+](C=CC3=CC=CC=C32)C

InChI

InChI=1S/C36H54NO6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20-28-41-34-25-21-24-33(36(34)43-44(38,39)42-29-30(2)40-4)35-32-23-19-18-22-31(32)26-27-37(35)3/h18-19,21-27,30H,5-17,20,28-29H2,1-4H3/p+1