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

Systemtic Name: (3-dodecoxy-2-methyl-phenyl) [2-(1-methylquinolin-1-ium-2-yl)phenyl] hydrogen phosphate Openeye Name: (3-dodecoxy-2-methyl-phenyl) [2-(1-methylquinolin-1-ium-2-yl)phenyl] hydrogen phosphate CAS Name: (3-dodecoxy-2-methylphenyl) [2-(1-methyl-2-quinolin-1-iumyl)phenyl] hydrogen phosphate IUPAC Name: (3-dodecoxy-2-methylphenyl) [2-(1-methylquinolin-1-ium-2-yl)phenyl] hydrogen phosphate Traditional Name: (3-lauryloxy-2-methyl-phenyl) [2-(1-methylquinolin-1-ium-2-yl)phenyl] hydrogen phosphate Formula: C35H45NO5P+ MolecularWeight: 590.709261

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H44NO5P/c1-4-5-6-7-8-9-10-11-12-17-27-39-33-23-18-24-34(28(33)2)40-42(37,38)41-35-22-16-14-20-30(35)32-26-25-29-19-13-15-21-31(29)36(32)3/h13-16,18-26H,4-12,17,27H2,1-3H3/p+1