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

Systemtic Name: (3-chloranyl-4-hexadecoxy-phenyl) [2-(1-methylquinolin-1-ium-2-yl)phenyl] hydrogen phosphate Openeye Name: (3-chloro-4-hexadecoxy-phenyl) [2-(1-methylquinolin-1-ium-2-yl)phenyl] hydrogen phosphate CAS Name: (3-chloro-4-hexadecoxyphenyl) [2-(1-methyl-2-quinolin-1-iumyl)phenyl] hydrogen phosphate IUPAC Name: (3-chloro-4-hexadecoxyphenyl) [2-(1-methylquinolin-1-ium-2-yl)phenyl] hydrogen phosphate Traditional Name: (4-cetyloxy-3-chloro-phenyl) [2-(1-methylquinolin-1-ium-2-yl)phenyl] hydrogen phosphate Formula: C38H50ClNO5P+ MolecularWeight: 667.234061

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C38H49ClNO5P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-29-43-38-28-26-32(30-34(38)39)44-46(41,42)45-37-24-19-17-22-33(37)36-27-25-31-21-16-18-23-35(31)40(36)2/h16-19,21-28,30H,3-15,20,29H2,1-2H3/p+1