3-azaniumylpropyl-[4-[3-[(3-ethoxy-3-oxidanylidene-1-phenyl-propyl)azaniumyl]propylazaniumyl]butyl]azanium tetrachloride

Systemtic Name: 3-azaniumylpropyl-[4-[3-[(3-ethoxy-3-oxidanylidene-1-phenyl-propyl)azaniumyl]propylazaniumyl]butyl]azanium tetrachloride Openeye Name: 3-azaniumylpropyl-[4-[3-[(3-ethoxy-3-oxo-1-phenyl-propyl)ammonio]propylammonio]butyl]ammonium tetrachloride CAS Name: 3-ammoniopropyl-[4-[3-[(3-ethoxy-3-oxo-1-phenylpropyl)ammonio]propylammonio]butyl]ammonium tetrachloride IUPAC Name: 3-azaniumylpropyl-[4-[3-[(3-ethoxy-3-oxo-1-phenylpropyl)azaniumyl]propylazaniumyl]butyl]azanium tetrachloride Traditional Name: 3-ammoniopropyl-[4-[3-[(3-ethoxy-3-keto-1-phenyl-propyl)ammonio]propylammonio]butyl]ammonium tetrachloride Formula: C21H42Cl4N4O2 MolecularWeight: 524.39578

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CC=CC=C1)[NH2+]CCC[NH2+]CCCC[NH2+]CCC[NH3+].[Cl-].[Cl-].[Cl-].[Cl-]

Isomeric SMILES

CCOC(=O)CC(C1=CC=CC=C1)[NH2+]CCC[NH2+]CCCC[NH2+]CCC[NH3+].[Cl-].[Cl-].[Cl-].[Cl-]

InChI

InChI=1S/C21H38N4O2.4ClH/c1-2-27-21(26)18-20(19-10-4-3-5-11-19)25-17-9-16-24-14-7-6-13-23-15-8-12-22;;;;/h3-5,10-11,20,23-25H,2,6-9,12-18,22H2,1H3;4*1H