dimethyl-(6-oxidanyl-6,6-diphosphono-hexyl)-[2-(trimethylazaniumyl)ethyl]azanium

Systemtic Name: dimethyl-(6-oxidanyl-6,6-diphosphono-hexyl)-[2-(trimethylazaniumyl)ethyl]azanium Openeye Name: (6-hydroxy-6,6-diphosphono-hexyl)-dimethyl-[2-(trimethylammonio)ethyl]ammonium CAS Name: (6-hydroxy-6,6-diphosphonohexyl)-dimethyl-[2-(trimethylammonio)ethyl]ammonium IUPAC Name: (6-hydroxy-6,6-diphosphonohexyl)-dimethyl-[2-(trimethylazaniumyl)ethyl]azanium Traditional Name: (6-hydroxy-6,6-diphosphono-hexyl)-dimethyl-[2-(trimethylammonio)ethyl]ammonium Formula: C13H34N2O7P2+2 MolecularWeight: 392.365782

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC[N+](C)(C)CCCCCC(O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C[N+](C)(C)CC[N+](C)(C)CCCCCC(O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C13H32N2O7P2/c1-14(2,3)11-12-15(4,5)10-8-6-7-9-13(16,23(17,18)19)24(20,21)22/h16H,6-12H2,1-5H3,(H2-2,17,18,19,20,21,22)/p+2