[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-(2-chloranylprop-2-enyl)-methyl-azanium

Systemtic Name: [2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-(2-chloranylprop-2-enyl)-methyl-azanium Openeye Name: [2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-(2-chloroallyl)-methyl-ammonium CAS Name: [2-(4-bromo-2-methylanilino)-2-oxoethyl]-(2-chloroprop-2-enyl)-methylammonium IUPAC Name: [2-(4-bromo-2-methylanilino)-2-oxoethyl]-(2-chloroprop-2-enyl)-methylazanium Traditional Name: [2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-(2-chloroallyl)-methyl-ammonium Formula: C13H17BrClN2O+ MolecularWeight: 332.64388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)C[NH+](C)CC(=C)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)C[NH+](C)CC(=C)Cl

InChI

InChI=1S/C13H16BrClN2O/c1-9-6-11(14)4-5-12(9)16-13(18)8-17(3)7-10(2)15/h4-6H,2,7-8H2,1,3H3,(H,16,18)/p+1