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

Systemtic Name: [2-[3-(3-methylbut-2-enyl)pyridin-1-ium-1-yl]-1-phosphono-ethyl]phosphonic acid Openeye Name: [2-[3-(3-methylbut-2-enyl)pyridin-1-ium-1-yl]-1-phosphono-ethyl]phosphonic acid CAS Name: [2-[3-(3-methylbut-2-enyl)-1-pyridin-1-iumyl]-1-phosphonoethyl]phosphonic acid IUPAC Name: [2-[3-(3-methylbut-2-enyl)pyridin-1-ium-1-yl]-1-phosphonoethyl]phosphonic acid Traditional Name: [2-[3-(3-methylbut-2-enyl)pyridin-1-ium-1-yl]-1-phosphono-ethyl]phosphonic acid Formula: C12H20NO6P2+ MolecularWeight: 336.237822

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCC1=C[N+](=CC=C1)CC(P(=O)(O)O)P(=O)(O)O)C

Isomeric SMILES

CC(=CCC1=C[N+](=CC=C1)CC(P(=O)(O)O)P(=O)(O)O)C

InChI

InChI=1S/C12H19NO6P2/c1-10(2)5-6-11-4-3-7-13(8-11)9-12(20(14,15)16)21(17,18)19/h3-5,7-8,12H,6,9H2,1-2H3,(H3-,14,15,16,17,18,19)/p+1