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

Systemtic Name: [2-(hexadecoxymethyl)-4-oxidanylidene-heptyl] 2-pyrrolidin-1-ium-1-ylethyl hydrogen phosphite Openeye Name: [2-(hexadecoxymethyl)-4-oxo-heptyl] 2-pyrrolidin-1-ium-1-ylethyl hydrogen phosphite CAS Name: [2-(hexadecoxymethyl)-4-oxoheptyl] 2-(1-pyrrolidin-1-iumyl)ethyl hydrogen phosphite IUPAC Name: [2-(hexadecoxymethyl)-4-oxoheptyl] 2-pyrrolidin-1-ium-1-ylethyl hydrogen phosphite Traditional Name: [2-(cetyloxymethyl)-4-keto-heptyl] 2-pyrrolidin-1-ium-1-ylethyl hydrogen phosphite Formula: C30H61NO5P+ MolecularWeight: 546.782801

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H60NO5P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19-24-34-27-29(26-30(32)20-4-2)28-36-37(33)35-25-23-31-21-17-18-22-31/h29,33H,3-28H2,1-2H3/p+1