[2-(heptadecoxymethyl)-4-oxidanylidene-pentyl] 3-pyrrolidin-1-ium-1-ylpropyl hydrogen phosphite

Systemtic Name: [2-(heptadecoxymethyl)-4-oxidanylidene-pentyl] 3-pyrrolidin-1-ium-1-ylpropyl hydrogen phosphite Openeye Name: [2-(heptadecoxymethyl)-4-oxo-pentyl] 3-pyrrolidin-1-ium-1-ylpropyl hydrogen phosphite CAS Name: [2-(heptadecoxymethyl)-4-oxopentyl] 3-(1-pyrrolidin-1-iumyl)propyl hydrogen phosphite IUPAC Name: [2-(heptadecoxymethyl)-4-oxopentyl] 3-pyrrolidin-1-ium-1-ylpropyl hydrogen phosphite Traditional Name: [2-(heptadecoxymethyl)-4-keto-pentyl] 3-pyrrolidin-1-ium-1-ylpropyl hydrogen phosphite Formula: C30H61NO5P+ MolecularWeight: 546.782801

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCOCC(CC(=O)C)COP(O)OCCC[NH+]1CCCC1

Isomeric SMILES

CCCCCCCCCCCCCCCCCOCC(CC(=O)C)COP(O)OCCC[NH+]1CCCC1

InChI

InChI=1S/C30H60NO5P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24-34-27-30(26-29(2)32)28-36-37(33)35-25-20-23-31-21-17-18-22-31/h30,33H,3-28H2,1-2H3/p+1