1-(2,2-diphosphonatoethyl)pyridin-1-ium-4-amine

Systemtic Name: 1-(2,2-diphosphonatoethyl)pyridin-1-ium-4-amine Openeye Name: 1-(2,2-diphosphonatoethyl)pyridin-1-ium-4-amine CAS Name: 1-(2,2-diphosphonatoethyl)-4-pyridin-1-iumamine IUPAC Name: 1-(2,2-diphosphonatoethyl)pyridin-1-ium-4-amine Traditional Name: [1-(2,2-diphosphonatoethyl)pyridin-1-ium-4-yl]amine Formula: C7H9N2O6P2-3 MolecularWeight: 279.103682

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Descriptors Computed from Structure

Canonical SMILES:

C1=C[N+](=CC=C1N)CC(P(=O)([O-])[O-])P(=O)([O-])[O-]

Isomeric SMILES

C1=C[N+](=CC=C1N)CC(P(=O)([O-])[O-])P(=O)([O-])[O-]

InChI

InChI=1S/C7H12N2O6P2/c8-6-1-3-9(4-2-6)5-7(16(10,11)12)17(13,14)15/h1-4,7-8H,5H2,(H4,10,11,12,13,14,15)/p-3