[2-(heptadecoxymethyl)-4-oxidanylidene-heptyl] 2-pyrrolidin-1-ium-1-ylethyl hydrogen phosphite

Systemtic Name: [2-(heptadecoxymethyl)-4-oxidanylidene-heptyl] 2-pyrrolidin-1-ium-1-ylethyl hydrogen phosphite Openeye Name: [2-(heptadecoxymethyl)-4-oxo-heptyl] 2-pyrrolidin-1-ium-1-ylethyl hydrogen phosphite CAS Name: [2-(heptadecoxymethyl)-4-oxoheptyl] 2-(1-pyrrolidin-1-iumyl)ethyl hydrogen phosphite IUPAC Name: [2-(heptadecoxymethyl)-4-oxoheptyl] 2-pyrrolidin-1-ium-1-ylethyl hydrogen phosphite Traditional Name: [2-(heptadecoxymethyl)-4-keto-heptyl] 2-pyrrolidin-1-ium-1-ylethyl hydrogen phosphite Formula: C31H63NO5P+ MolecularWeight: 560.809381

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCOCC(CC(=O)CCC)COP(O)OCC[NH+]1CCCC1

Isomeric SMILES

CCCCCCCCCCCCCCCCCOCC(CC(=O)CCC)COP(O)OCC[NH+]1CCCC1

InChI

InChI=1S/C31H62NO5P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-20-25-35-28-30(27-31(33)21-4-2)29-37-38(34)36-26-24-32-22-18-19-23-32/h30,34H,3-29H2,1-2H3/p+1