(3-hexadecoxy-5-methoxy-phenyl) [2-(1-methylquinolin-1-ium-2-yl)phenyl] hydrogen phosphate

Systemtic Name: (3-hexadecoxy-5-methoxy-phenyl) [2-(1-methylquinolin-1-ium-2-yl)phenyl] hydrogen phosphate Openeye Name: (3-hexadecoxy-5-methoxy-phenyl) [2-(1-methylquinolin-1-ium-2-yl)phenyl] hydrogen phosphate CAS Name: (3-hexadecoxy-5-methoxyphenyl) [2-(1-methyl-2-quinolin-1-iumyl)phenyl] hydrogen phosphate IUPAC Name: (3-hexadecoxy-5-methoxyphenyl) [2-(1-methylquinolin-1-ium-2-yl)phenyl] hydrogen phosphate Traditional Name: (3-cetyloxy-5-methoxy-phenyl) [2-(1-methylquinolin-1-ium-2-yl)phenyl] hydrogen phosphate Formula: C39H53NO6P+ MolecularWeight: 662.814981

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C39H52NO6P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-21-28-44-34-29-33(43-3)30-35(31-34)45-47(41,42)46-39-25-20-18-23-36(39)38-27-26-32-22-17-19-24-37(32)40(38)2/h17-20,22-27,29-31H,4-16,21,28H2,1-3H3/p+1