hexadecyl (1-methyl-1-phenethyl-piperidin-1-ium-4-yl) hydrogen phosphate

Systemtic Name: hexadecyl (1-methyl-1-phenethyl-piperidin-1-ium-4-yl) hydrogen phosphate Openeye Name: hexadecyl (1-methyl-1-phenethyl-piperidin-1-ium-4-yl) hydrogen phosphate CAS Name: hexadecyl (1-methyl-1-phenethyl-4-piperidin-1-iumyl) hydrogen phosphate IUPAC Name: hexadecyl (1-methyl-1-phenethylpiperidin-1-ium-4-yl) hydrogen phosphate Traditional Name: cetyl (1-methyl-1-phenethyl-piperidin-1-ium-4-yl) hydrogen phosphate Formula: C30H55NO4P+ MolecularWeight: 524.735761

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOP(=O)(O)OC1CC[N+](CC1)(C)CCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCOP(=O)(O)OC1CC[N+](CC1)(C)CCC2=CC=CC=C2

InChI

InChI=1S/C30H54NO4P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-28-34-36(32,33)35-30-23-26-31(2,27-24-30)25-22-29-20-17-16-18-21-29/h16-18,20-21,30H,3-15,19,22-28H2,1-2H3/p+1