3-[[2-[(3-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]azaniumyl]propyl-diethyl-azanium

Systemtic Name: 3-[[2-[(3-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]azaniumyl]propyl-diethyl-azanium Openeye Name: 3-[[2-(3-bromo-4-methyl-anilino)-2-oxo-ethyl]ammonio]propyl-diethyl-ammonium CAS Name: 3-[[2-(3-bromo-4-methylanilino)-2-oxoethyl]ammonio]propyl-diethylammonium IUPAC Name: 3-[[2-(3-bromo-4-methylanilino)-2-oxoethyl]azaniumyl]propyl-diethylazanium Traditional Name: 3-[[2-(3-bromo-4-methyl-anilino)-2-keto-ethyl]ammonio]propyl-diethyl-ammonium Formula: C16H28BrN3O+2 MolecularWeight: 358.31702

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCC[NH2+]CC(=O)NC1=CC(=C(C=C1)C)Br

Isomeric SMILES

CC[NH+](CC)CCC[NH2+]CC(=O)NC1=CC(=C(C=C1)C)Br

InChI

InChI=1S/C16H26BrN3O/c1-4-20(5-2)10-6-9-18-12-16(21)19-14-8-7-13(3)15(17)11-14/h7-8,11,18H,4-6,9-10,12H2,1-3H3,(H,19,21)/p+2