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

Systemtic Name: [2-(heptadecoxymethyl)-4-oxidanylidene-pentyl] 4-pyrrolidin-1-ium-1-ylbutyl hydrogen phosphite Openeye Name: [2-(heptadecoxymethyl)-4-oxo-pentyl] 4-pyrrolidin-1-ium-1-ylbutyl hydrogen phosphite CAS Name: [2-(heptadecoxymethyl)-4-oxopentyl] 4-(1-pyrrolidin-1-iumyl)butyl hydrogen phosphite IUPAC Name: [2-(heptadecoxymethyl)-4-oxopentyl] 4-pyrrolidin-1-ium-1-ylbutyl hydrogen phosphite Traditional Name: [2-(heptadecoxymethyl)-4-keto-pentyl] 4-pyrrolidin-1-ium-1-ylbutyl hydrogen phosphite Formula: C31H63NO5P+ MolecularWeight: 560.809381

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H62NO5P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-25-35-28-31(27-30(2)33)29-37-38(34)36-26-21-19-24-32-22-17-18-23-32/h31,34H,3-29H2,1-2H3/p+1