[[(3-methylpiperidin-1-ium-1-ylidene)amino]-phosphono-methyl]phosphonic acid

Systemtic Name: [[(3-methylpiperidin-1-ium-1-ylidene)amino]-phosphono-methyl]phosphonic acid Openeye Name: [[(3-methylpiperidin-1-ium-1-ylidene)amino]-phosphono-methyl]phosphonic acid CAS Name: [[(3-methyl-1-piperidin-1-iumylidene)amino]-phosphonomethyl]phosphonic acid IUPAC Name: [[(3-methylpiperidin-1-ium-1-ylidene)amino]-phosphonomethyl]phosphonic acid Traditional Name: [[(3-methylpiperidin-1-ium-1-ylidene)amino]-phosphono-methyl]phosphonic acid Formula: C7H17N2O6P2+ MolecularWeight: 287.167202

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[N+](=NC(P(=O)(O)O)P(=O)(O)O)C1

Isomeric SMILES

CC1CCC[N+](=NC(P(=O)(O)O)P(=O)(O)O)C1

InChI

InChI=1S/C7H16N2O6P2/c1-6-3-2-4-9(5-6)8-7(16(10,11)12)17(13,14)15/h6-7H,2-5H2,1H3,(H3-,10,11,12,13,14,15)/p+1