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

Systemtic Name: [2-[3-(3-butoxyphenyl)pyridin-1-ium-1-yl]-1-phosphono-ethyl]phosphonic acid Openeye Name: [2-[3-(3-butoxyphenyl)pyridin-1-ium-1-yl]-1-phosphono-ethyl]phosphonic acid CAS Name: [2-[3-(3-butoxyphenyl)-1-pyridin-1-iumyl]-1-phosphonoethyl]phosphonic acid IUPAC Name: [2-[3-(3-butoxyphenyl)pyridin-1-ium-1-yl]-1-phosphonoethyl]phosphonic acid Traditional Name: [2-[3-(3-butoxyphenyl)pyridin-1-ium-1-yl]-1-phosphono-ethyl]phosphonic acid Formula: C17H24NO7P2+ MolecularWeight: 416.322482

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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)/p+1