methyl-(3-oxidanyl-3,3-diphosphono-propyl)-pentyl-phenyl-azanium

Systemtic Name: methyl-(3-oxidanyl-3,3-diphosphono-propyl)-pentyl-phenyl-azanium Openeye Name: (3-hydroxy-3,3-diphosphono-propyl)-methyl-pentyl-phenyl-ammonium CAS Name: (3-hydroxy-3,3-diphosphonopropyl)-methyl-pentyl-phenylammonium IUPAC Name: (3-hydroxy-3,3-diphosphonopropyl)-methyl-pentyl-phenylazanium Traditional Name: amyl-(3-hydroxy-3,3-diphosphono-propyl)-methyl-phenyl-ammonium Formula: C15H28NO7P2+ MolecularWeight: 396.332842

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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=C1

Isomeric SMILES

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

InChI

InChI=1S/C15H27NO7P2/c1-3-4-8-12-16(2,14-9-6-5-7-10-14)13-11-15(17,24(18,19)20)25(21,22)23/h5-7,9-10,17H,3-4,8,11-13H2,1-2H3,(H3-,18,19,20,21,22,23)/p+1