2-[[4-(butylazaniumyl)phenyl]carbonylamino]ethyl-diethyl-azanium dichloride

Systemtic Name: 2-[[4-(butylazaniumyl)phenyl]carbonylamino]ethyl-diethyl-azanium dichloride Openeye Name: 2-[[4-(butylammonio)benzoyl]amino]ethyl-diethyl-ammonium dichloride CAS Name: 2-[[[4-(butylammonio)phenyl]-oxomethyl]amino]ethyl-diethylammonium dichloride IUPAC Name: 2-[[4-(butylazaniumyl)benzoyl]amino]ethyl-diethylazanium dichloride Traditional Name: 2-[[4-(butylammonio)benzoyl]amino]ethyl-diethyl-ammonium dichloride Formula: C17H31Cl2N3O MolecularWeight: 364.35354

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH2+]C1=CC=C(C=C1)C(=O)NCC[NH+](CC)CC.[Cl-].[Cl-]

Isomeric SMILES

CCCC[NH2+]C1=CC=C(C=C1)C(=O)NCC[NH+](CC)CC.[Cl-].[Cl-]

InChI

InChI=1S/C17H29N3O.2ClH/c1-4-7-12-18-16-10-8-15(9-11-16)17(21)19-13-14-20(5-2)6-3;;/h8-11,18H,4-7,12-14H2,1-3H3,(H,19,21);2*1H