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

Systemtic Name: (4-hexadecoxy-2-methyl-phenyl) [2-(1-methylquinolin-1-ium-2-yl)phenyl] hydrogen phosphate Openeye Name: (4-hexadecoxy-2-methyl-phenyl) [2-(1-methylquinolin-1-ium-2-yl)phenyl] hydrogen phosphate CAS Name: (4-hexadecoxy-2-methylphenyl) [2-(1-methyl-2-quinolin-1-iumyl)phenyl] hydrogen phosphate IUPAC Name: (4-hexadecoxy-2-methylphenyl) [2-(1-methylquinolin-1-ium-2-yl)phenyl] hydrogen phosphate Traditional Name: (4-cetyloxy-2-methyl-phenyl) [2-(1-methylquinolin-1-ium-2-yl)phenyl] hydrogen phosphate Formula: C39H53NO5P+ MolecularWeight: 646.815581

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C39H52NO5P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-21-30-43-34-27-29-38(32(2)31-34)44-46(41,42)45-39-25-20-18-23-35(39)37-28-26-33-22-17-19-24-36(33)40(37)3/h17-20,22-29,31H,4-16,21,30H2,1-3H3/p+1