(3-hexadecoxy-2-methoxy-propyl)-(2-pyridin-1-ium-1-ylethoxy)phosphinic acid

Systemtic Name: (3-hexadecoxy-2-methoxy-propyl)-(2-pyridin-1-ium-1-ylethoxy)phosphinic acid Openeye Name: (3-hexadecoxy-2-methoxy-propyl)-(2-pyridin-1-ium-1-ylethoxy)phosphinic acid CAS Name: (3-hexadecoxy-2-methoxypropyl)-[2-(1-pyridin-1-iumyl)ethoxy]phosphinic acid IUPAC Name: (3-hexadecoxy-2-methoxypropyl)-(2-pyridin-1-ium-1-ylethoxy)phosphinic acid Traditional Name: (3-cetyloxy-2-methoxy-propyl)-(2-pyridin-1-ium-1-ylethoxy)phosphinic acid Formula: C27H51NO5P+ MolecularWeight: 500.671301

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(CP(=O)(O)OCC[N+]1=CC=CC=C1)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(CP(=O)(O)OCC[N+]1=CC=CC=C1)OC

InChI

InChI=1S/C27H50NO5P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-23-32-25-27(31-2)26-34(29,30)33-24-22-28-20-17-16-18-21-28/h16-18,20-21,27H,3-15,19,22-26H2,1-2H3/p+1