3-[[2-[(diphenylmethyl)amino]-2-oxidanylidene-ethyl]azaniumyl]propyl-diethyl-azanium dichloride

Systemtic Name: 3-[[2-[(diphenylmethyl)amino]-2-oxidanylidene-ethyl]azaniumyl]propyl-diethyl-azanium dichloride Openeye Name: 3-[[2-(benzhydrylamino)-2-oxo-ethyl]ammonio]propyl-diethyl-ammonium dichloride CAS Name: 3-[[2-[(diphenylmethyl)amino]-2-oxoethyl]ammonio]propyl-diethylammonium dichloride IUPAC Name: 3-[[2-(benzhydrylamino)-2-oxoethyl]azaniumyl]propyl-diethylazanium dichloride Traditional Name: 3-[[2-(benzhydrylamino)-2-keto-ethyl]ammonio]propyl-diethyl-ammonium dichloride Formula: C22H33Cl2N3O MolecularWeight: 426.42292

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCC[NH2+]CC(=O)NC(C1=CC=CC=C1)C2=CC=CC=C2.[Cl-].[Cl-]

Isomeric SMILES

CC[NH+](CC)CCC[NH2+]CC(=O)NC(C1=CC=CC=C1)C2=CC=CC=C2.[Cl-].[Cl-]

InChI

InChI=1S/C22H31N3O.2ClH/c1-3-25(4-2)17-11-16-23-18-21(26)24-22(19-12-7-5-8-13-19)20-14-9-6-10-15-20;;/h5-10,12-15,22-23H,3-4,11,16-18H2,1-2H3,(H,24,26);2*1H