[2-[3-(decylamino)pyridin-1-ium-1-yl]-1-phosphono-ethyl]phosphonic acid

Systemtic Name: [2-[3-(decylamino)pyridin-1-ium-1-yl]-1-phosphono-ethyl]phosphonic acid Openeye Name: [2-[3-(decylamino)pyridin-1-ium-1-yl]-1-phosphono-ethyl]phosphonic acid CAS Name: [2-[3-(decylamino)-1-pyridin-1-iumyl]-1-phosphonoethyl]phosphonic acid IUPAC Name: [2-[3-(decylamino)pyridin-1-ium-1-yl]-1-phosphonoethyl]phosphonic acid Traditional Name: [2-[3-(decylamino)pyridin-1-ium-1-yl]-1-phosphono-ethyl]phosphonic acid Formula: C17H33N2O6P2+ MolecularWeight: 423.401242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCNC1=C[N+](=CC=C1)CC(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CCCCCCCCCCNC1=C[N+](=CC=C1)CC(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C17H32N2O6P2/c1-2-3-4-5-6-7-8-9-12-18-16-11-10-13-19(14-16)15-17(26(20,21)22)27(23,24)25/h10-11,13-14,17-18H,2-9,12,15H2,1H3,(H3-,20,21,22,23,24,25)/p+1