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2-(1,1-dimethylpiperidin-1-ium-4-yl)ethyl hexadecyl hydrogen phosphate

2-(1,1-dimethylpiperidin-1-ium-4-yl)ethyl hexadecyl hydrogen phosphate

Systemtic Name:2-(1,1-dimethylpiperidin-1-ium-4-yl)ethyl hexadecyl hydrogen phosphate
Openeye Name:2-(1,1-dimethylpiperidin-1-ium-4-yl)ethyl hexadecyl hydrogen phosphate
CAS Name:2-(1,1-dimethyl-4-piperidin-1-iumyl)ethyl hexadecyl hydrogen phosphate
IUPAC Name:2-(1,1-dimethylpiperidin-1-ium-4-yl)ethyl hexadecyl hydrogen phosphate
Traditional Name:cetyl 2-(1,1-dimethylpiperidin-1-ium-4-yl)ethyl hydrogen phosphate
Formula: C25H53NO4P+
MolecularWeight: 462.666381
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOP(=O)(O)OCCC1CC[N+](CC1)(C)C


Isomeric SMILES

CCCCCCCCCCCCCCCCOP(=O)(O)OCCC1CC[N+](CC1)(C)C


InChI

InChI=1S/C25H52NO4P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-29-31(27,28)30-24-20-25-18-21-26(2,3)22-19-25/h25H,4-24H2,1-3H3/p+1


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