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

Systemtic Name: (3-hexadecoxy-2-methyl-phenyl) [2-(1-methylquinolin-1-ium-2-yl)phenyl] hydrogen phosphate Openeye Name: (3-hexadecoxy-2-methyl-phenyl) [2-(1-methylquinolin-1-ium-2-yl)phenyl] hydrogen phosphate CAS Name: (3-hexadecoxy-2-methylphenyl) [2-(1-methyl-2-quinolin-1-iumyl)phenyl] hydrogen phosphate IUPAC Name: (3-hexadecoxy-2-methylphenyl) [2-(1-methylquinolin-1-ium-2-yl)phenyl] hydrogen phosphate Traditional Name: (3-cetyloxy-2-methyl-phenyl) [2-(1-methylquinolin-1-ium-2-yl)phenyl] hydrogen phosphate Formula: C39H53NO5P+ MolecularWeight: 646.815581

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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