hexadecyl [1-methyl-1-(phenylmethyl)piperidin-1-ium-4-yl] hydrogen phosphate

Systemtic Name: hexadecyl [1-methyl-1-(phenylmethyl)piperidin-1-ium-4-yl] hydrogen phosphate Openeye Name: (1-benzyl-1-methyl-piperidin-1-ium-4-yl) hexadecyl hydrogen phosphate CAS Name: hexadecyl [1-methyl-1-(phenylmethyl)-4-piperidin-1-iumyl] hydrogen phosphate IUPAC Name: (1-benzyl-1-methylpiperidin-1-ium-4-yl) hexadecyl hydrogen phosphate Traditional Name: (1-benzyl-1-methyl-piperidin-1-ium-4-yl) cetyl hydrogen phosphate Formula: C29H53NO4P+ MolecularWeight: 510.709181

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOP(=O)(O)OC1CC[N+](CC1)(C)CC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCOP(=O)(O)OC1CC[N+](CC1)(C)CC2=CC=CC=C2

InChI

InChI=1S/C29H52NO4P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-26-33-35(31,32)34-29-22-24-30(2,25-23-29)27-28-20-17-16-18-21-28/h16-18,20-21,29H,3-15,19,22-27H2,1-2H3/p+1