3-[[2-[[4-chloranyl-2-(phenylcarbonyl)phenyl]amino]-2-oxidanylidene-ethyl]azaniumyl]propyl-dimethyl-azanium

Systemtic Name: 3-[[2-[[4-chloranyl-2-(phenylcarbonyl)phenyl]amino]-2-oxidanylidene-ethyl]azaniumyl]propyl-dimethyl-azanium Openeye Name: 3-[[2-(2-benzoyl-4-chloro-anilino)-2-oxo-ethyl]ammonio]propyl-dimethyl-ammonium CAS Name: 3-[[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl]ammonio]propyl-dimethylammonium IUPAC Name: 3-[[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl]azaniumyl]propyl-dimethylazanium Traditional Name: 3-[[2-(2-benzoyl-4-chloro-anilino)-2-keto-ethyl]ammonio]propyl-dimethyl-ammonium Formula: C20H26ClN3O2+2 MolecularWeight: 375.89234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCC[NH2+]CC(=O)NC1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2

Isomeric SMILES

C[NH+](C)CCC[NH2+]CC(=O)NC1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H24ClN3O2/c1-24(2)12-6-11-22-14-19(25)23-18-10-9-16(21)13-17(18)20(26)15-7-4-3-5-8-15/h3-5,7-10,13,22H,6,11-12,14H2,1-2H3,(H,23,25)/p+2