(4-hexadecoxyphenyl) [2-(1-methylquinolin-1-ium-2-yl)phenyl] hydrogen phosphate

Systemtic Name: (4-hexadecoxyphenyl) [2-(1-methylquinolin-1-ium-2-yl)phenyl] hydrogen phosphate Openeye Name: (4-hexadecoxyphenyl) [2-(1-methylquinolin-1-ium-2-yl)phenyl] hydrogen phosphate CAS Name: (4-hexadecoxyphenyl) [2-(1-methyl-2-quinolin-1-iumyl)phenyl] hydrogen phosphate IUPAC Name: (4-hexadecoxyphenyl) [2-(1-methylquinolin-1-ium-2-yl)phenyl] hydrogen phosphate Traditional Name: (4-cetyloxyphenyl) [2-(1-methylquinolin-1-ium-2-yl)phenyl] hydrogen phosphate Formula: C38H51NO5P+ MolecularWeight: 632.789001

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)OP(=O)(O)OC2=CC=CC=C2C3=[N+](C4=CC=CC=C4C=C3)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)OP(=O)(O)OC2=CC=CC=C2C3=[N+](C4=CC=CC=C4C=C3)C

InChI

InChI=1S/C38H50NO5P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-31-42-33-26-28-34(29-27-33)43-45(40,41)44-38-24-19-17-22-35(38)37-30-25-32-21-16-18-23-36(32)39(37)2/h16-19,21-30H,3-15,20,31H2,1-2H3/p+1