[2-(hexadecoxymethyl)-4-oxidanylidene-heptyl] 4-pyrrolidin-1-ium-1-ylbutyl hydrogen phosphite

Systemtic Name: [2-(hexadecoxymethyl)-4-oxidanylidene-heptyl] 4-pyrrolidin-1-ium-1-ylbutyl hydrogen phosphite Openeye Name: [2-(hexadecoxymethyl)-4-oxo-heptyl] 4-pyrrolidin-1-ium-1-ylbutyl hydrogen phosphite CAS Name: [2-(hexadecoxymethyl)-4-oxoheptyl] 4-(1-pyrrolidin-1-iumyl)butyl hydrogen phosphite IUPAC Name: [2-(hexadecoxymethyl)-4-oxoheptyl] 4-pyrrolidin-1-ium-1-ylbutyl hydrogen phosphite Traditional Name: [2-(cetyloxymethyl)-4-keto-heptyl] 4-pyrrolidin-1-ium-1-ylbutyl hydrogen phosphite Formula: C32H65NO5P+ MolecularWeight: 574.835961

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(CC(=O)CCC)COP(O)OCCCC[NH+]1CCCC1

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(CC(=O)CCC)COP(O)OCCCC[NH+]1CCCC1

InChI

InChI=1S/C32H64NO5P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-20-26-36-29-31(28-32(34)22-4-2)30-38-39(35)37-27-21-19-25-33-23-17-18-24-33/h31,35H,3-30H2,1-2H3/p+1