[2-[3-(3,7-dimethyloctoxy)pyridin-1-ium-1-yl]-1-phosphono-ethyl]phosphonic acid

Systemtic Name: [2-[3-(3,7-dimethyloctoxy)pyridin-1-ium-1-yl]-1-phosphono-ethyl]phosphonic acid Openeye Name: [2-[3-(3,7-dimethyloctoxy)pyridin-1-ium-1-yl]-1-phosphono-ethyl]phosphonic acid CAS Name: [2-[3-(3,7-dimethyloctoxy)-1-pyridin-1-iumyl]-1-phosphonoethyl]phosphonic acid IUPAC Name: [2-[3-(3,7-dimethyloctoxy)pyridin-1-ium-1-yl]-1-phosphonoethyl]phosphonic acid Traditional Name: [2-[3-(3,7-dimethyloctoxy)pyridin-1-ium-1-yl]-1-phosphono-ethyl]phosphonic acid Formula: C17H32NO7P2+ MolecularWeight: 424.386002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)CCOC1=C[N+](=CC=C1)CC(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CC(C)CCCC(C)CCOC1=C[N+](=CC=C1)CC(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C17H31NO7P2/c1-14(2)6-4-7-15(3)9-11-25-16-8-5-10-18(12-16)13-17(26(19,20)21)27(22,23)24/h5,8,10,12,14-15,17H,4,6-7,9,11,13H2,1-3H3,(H3-,19,20,21,22,23,24)/p+1