(1,1-dimethylpiperidin-1-ium-4-yl) (3-hexadecoxy-2-phenylmethoxy-butyl) hydrogen phosphate

Systemtic Name: (1,1-dimethylpiperidin-1-ium-4-yl) (3-hexadecoxy-2-phenylmethoxy-butyl) hydrogen phosphate Openeye Name: (2-benzyloxy-3-hexadecoxy-butyl) (1,1-dimethylpiperidin-1-ium-4-yl) hydrogen phosphate CAS Name: (1,1-dimethyl-4-piperidin-1-iumyl) (3-hexadecoxy-2-phenylmethoxybutyl) hydrogen phosphate IUPAC Name: (1,1-dimethylpiperidin-1-ium-4-yl) (3-hexadecoxy-2-phenylmethoxybutyl) hydrogen phosphate Traditional Name: (2-benzoxy-3-cetyloxy-butyl) (1,1-dimethylpiperidin-1-ium-4-yl) hydrogen phosphate Formula: C34H63NO6P+ MolecularWeight: 612.840881

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(C)C(COP(=O)(O)OC1CC[N+](CC1)(C)C)OCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(C)C(COP(=O)(O)OC1CC[N+](CC1)(C)C)OCC2=CC=CC=C2

InChI

InChI=1S/C34H62NO6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-21-28-38-31(2)34(39-29-32-22-19-18-20-23-32)30-40-42(36,37)41-33-24-26-35(3,4)27-25-33/h18-20,22-23,31,33-34H,5-17,21,24-30H2,1-4H3/p+1