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

Systemtic Name: (4-dodecoxy-2-methoxy-phenyl) [2-(1-methylquinolin-1-ium-2-yl)phenyl] hydrogen phosphate Openeye Name: (4-dodecoxy-2-methoxy-phenyl) [2-(1-methylquinolin-1-ium-2-yl)phenyl] hydrogen phosphate CAS Name: (4-dodecoxy-2-methoxyphenyl) [2-(1-methyl-2-quinolin-1-iumyl)phenyl] hydrogen phosphate IUPAC Name: (4-dodecoxy-2-methoxyphenyl) [2-(1-methylquinolin-1-ium-2-yl)phenyl] hydrogen phosphate Traditional Name: (4-lauryloxy-2-methoxy-phenyl) [2-(1-methylquinolin-1-ium-2-yl)phenyl] hydrogen phosphate Formula: C35H45NO6P+ MolecularWeight: 606.708661

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC(=C(C=C1)OP(=O)(O)OC2=CC=CC=C2C3=[N+](C4=CC=CC=C4C=C3)C)OC

Isomeric SMILES

CCCCCCCCCCCCOC1=CC(=C(C=C1)OP(=O)(O)OC2=CC=CC=C2C3=[N+](C4=CC=CC=C4C=C3)C)OC

InChI

InChI=1S/C35H44NO6P/c1-4-5-6-7-8-9-10-11-12-17-26-40-29-23-25-34(35(27-29)39-3)42-43(37,38)41-33-21-16-14-19-30(33)32-24-22-28-18-13-15-20-31(28)36(32)2/h13-16,18-25,27H,4-12,17,26H2,1-3H3/p+1