(2-hexadecoxyphenyl) [2-(1-methylquinolin-1-ium-2-yl)phenyl] hydrogen phosphate

Systemtic Name: (2-hexadecoxyphenyl) [2-(1-methylquinolin-1-ium-2-yl)phenyl] hydrogen phosphate Openeye Name: (2-hexadecoxyphenyl) [2-(1-methylquinolin-1-ium-2-yl)phenyl] hydrogen phosphate CAS Name: (2-hexadecoxyphenyl) [2-(1-methyl-2-quinolin-1-iumyl)phenyl] hydrogen phosphate IUPAC Name: (2-hexadecoxyphenyl) [2-(1-methylquinolin-1-ium-2-yl)phenyl] hydrogen phosphate Traditional Name: (2-cetyloxyphenyl) [2-(1-methylquinolin-1-ium-2-yl)phenyl] hydrogen phosphate Formula: C38H51NO5P+ MolecularWeight: 632.789001

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC=CC=C1OP(=O)(O)OC2=CC=CC=C2C3=[N+](C4=CC=CC=C4C=C3)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC=CC=C1OP(=O)(O)OC2=CC=CC=C2C3=[N+](C4=CC=CC=C4C=C3)C

InChI

InChI=1S/C38H50NO5P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-22-31-42-37-27-20-21-28-38(37)44-45(40,41)43-36-26-19-17-24-33(36)35-30-29-32-23-16-18-25-34(32)39(35)2/h16-21,23-30H,3-15,22,31H2,1-2H3/p+1