2-(1-methylazepan-1-ium-1-yl)ethyl octadecyl hydrogen phosphate

Systemtic Name: 2-(1-methylazepan-1-ium-1-yl)ethyl octadecyl hydrogen phosphate Openeye Name: 2-(1-methylazepan-1-ium-1-yl)ethyl octadecyl hydrogen phosphate CAS Name: 2-(1-methyl-1-azepan-1-iumyl)ethyl octadecyl hydrogen phosphate IUPAC Name: 2-(1-methylazepan-1-ium-1-yl)ethyl octadecyl hydrogen phosphate Traditional Name: 2-(1-methylazepan-1-ium-1-yl)ethyl stearyl hydrogen phosphate Formula: C27H57NO4P+ MolecularWeight: 490.719541

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOP(=O)(O)OCC[N+]1(CCCCCC1)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOP(=O)(O)OCC[N+]1(CCCCCC1)C

InChI

InChI=1S/C27H56NO4P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-26-31-33(29,30)32-27-25-28(2)23-20-17-18-21-24-28/h3-27H2,1-2H3/p+1