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4-azaniumylbutyl-(3-azaniumylpropyl)-(phenylmethyl)azanium trichloride

4-azaniumylbutyl-(3-azaniumylpropyl)-(phenylmethyl)azanium trichloride

Systemtic Name:4-azaniumylbutyl-(3-azaniumylpropyl)-(phenylmethyl)azanium trichloride
Openeye Name:4-azaniumylbutyl-(3-azaniumylpropyl)-benzyl-ammonium trichloride
CAS Name:4-ammoniobutyl-(3-ammoniopropyl)-(phenylmethyl)ammonium trichloride
IUPAC Name:4-azaniumylbutyl-(3-azaniumylpropyl)-benzylazanium trichloride
Traditional Name:4-ammoniobutyl-(3-ammoniopropyl)-benzyl-ammonium trichloride
Formula: C14H28Cl3N3
MolecularWeight: 344.75122
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C14H25N3.3ClH/c15-9-4-5-11-17(12-6-10-16)13-14-7-2-1-3-8-14;;;/h1-3,7-8H,4-6,9-13,15-16H2;3*1H


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