[2-[3-(3-butoxyphenyl)pyridin-1-ium-1-yl]-1-phosphono-ethyl]-oxidanyl-phosphinate

Systemtic Name: [2-[3-(3-butoxyphenyl)pyridin-1-ium-1-yl]-1-phosphono-ethyl]-oxidanyl-phosphinate Openeye Name: [2-[3-(3-butoxyphenyl)pyridin-1-ium-1-yl]-1-phosphono-ethyl]-hydroxy-phosphinate CAS Name: [2-[3-(3-butoxyphenyl)-1-pyridin-1-iumyl]-1-phosphonoethyl]-hydroxyphosphinate IUPAC Name: [2-[3-(3-butoxyphenyl)pyridin-1-ium-1-yl]-1-phosphonoethyl]-hydroxyphosphinate Traditional Name: [2-[3-(3-butoxyphenyl)pyridin-1-ium-1-yl]-1-phosphono-ethyl]-hydroxy-phosphinate Formula: C17H23NO7P2 MolecularWeight: 415.314542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C2=C[N+](=CC=C2)CC(P(=O)(O)O)P(=O)(O)[O-]

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C2=C[N+](=CC=C2)CC(P(=O)(O)O)P(=O)(O)[O-]

InChI

InChI=1S/C17H23NO7P2/c1-2-3-10-25-16-8-4-6-14(11-16)15-7-5-9-18(12-15)13-17(26(19,20)21)27(22,23)24/h4-9,11-12,17H,2-3,10,13H2,1H3,(H3-,19,20,21,22,23,24)