methyl-(3-oxidanyl-3,3-diphosphono-propyl)-pentyl-pyridin-2-yl-azanium

Systemtic Name: methyl-(3-oxidanyl-3,3-diphosphono-propyl)-pentyl-pyridin-2-yl-azanium Openeye Name: (3-hydroxy-3,3-diphosphono-propyl)-methyl-pentyl-(2-pyridyl)ammonium CAS Name: (3-hydroxy-3,3-diphosphonopropyl)-methyl-pentyl-(2-pyridinyl)ammonium IUPAC Name: (3-hydroxy-3,3-diphosphonopropyl)-methyl-pentyl-pyridin-2-ylazanium Traditional Name: amyl-(3-hydroxy-3,3-diphosphono-propyl)-methyl-(2-pyridyl)ammonium Formula: C14H27N2O7P2+ MolecularWeight: 397.320902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC[N+](C)(CCC(O)(P(=O)(O)O)P(=O)(O)O)C1=CC=CC=N1

Isomeric SMILES

CCCCC[N+](C)(CCC(O)(P(=O)(O)O)P(=O)(O)O)C1=CC=CC=N1

InChI

InChI=1S/C14H26N2O7P2/c1-3-4-7-11-16(2,13-8-5-6-10-15-13)12-9-14(17,24(18,19)20)25(21,22)23/h5-6,8,10,17H,3-4,7,9,11-12H2,1-2H3,(H3-,18,19,20,21,22,23)/p+1