4-azaniumylbutyl-(3-azaniumylpropyl)-[[4-[ethoxy(oxidanyl)boranyl]phenyl]methyl]azanium trichloride

Systemtic Name: 4-azaniumylbutyl-(3-azaniumylpropyl)-[[4-[ethoxy(oxidanyl)boranyl]phenyl]methyl]azanium trichloride Openeye Name: 4-azaniumylbutyl-(3-azaniumylpropyl)-[[4-[ethoxy(hydroxy)boranyl]phenyl]methyl]ammonium trichloride CAS Name: 4-ammoniobutyl-(3-ammoniopropyl)-[[4-[ethoxy(hydroxy)boranyl]phenyl]methyl]ammonium trichloride IUPAC Name: 4-azaniumylbutyl-(3-azaniumylpropyl)-[[4-[ethoxy(hydroxy)boranyl]phenyl]methyl]azanium trichloride Traditional Name: 4-ammoniobutyl-(3-ammoniopropyl)-[4-[ethoxy(hydroxy)boranyl]benzyl]ammonium trichloride Formula: C16H33BCl3N3O2 MolecularWeight: 416.62212

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=CC=C(C=C1)C[NH+](CCCC[NH3+])CCC[NH3+])(O)OCC.[Cl-].[Cl-].[Cl-]

Isomeric SMILES

B(C1=CC=C(C=C1)C[NH+](CCCC[NH3+])CCC[NH3+])(O)OCC.[Cl-].[Cl-].[Cl-]

InChI

InChI=1S/C16H30BN3O2.3ClH/c1-2-22-17(21)16-8-6-15(7-9-16)14-20(13-5-11-19)12-4-3-10-18;;;/h6-9,21H,2-5,10-14,18-19H2,1H3;3*1H