[4-[[4-(4-chloranyl-2-methyl-phenoxy)butanoylamino]methyl]phenyl]methyl-dimethyl-azanium

Systemtic Name: [4-[[4-(4-chloranyl-2-methyl-phenoxy)butanoylamino]methyl]phenyl]methyl-dimethyl-azanium Openeye Name: [4-[[4-(4-chloro-2-methyl-phenoxy)butanoylamino]methyl]phenyl]methyl-dimethyl-ammonium CAS Name: [4-[[[4-(4-chloro-2-methylphenoxy)-1-oxobutyl]amino]methyl]phenyl]methyl-dimethylammonium IUPAC Name: [4-[[4-(4-chloro-2-methylphenoxy)butanoylamino]methyl]phenyl]methyl-dimethylazanium Traditional Name: [4-[[4-(4-chloro-2-methyl-phenoxy)butanoylamino]methyl]benzyl]-dimethyl-ammonium Formula: C21H28ClN2O2+ MolecularWeight: 375.91222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OCCCC(=O)NCC2=CC=C(C=C2)C[NH+](C)C

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OCCCC(=O)NCC2=CC=C(C=C2)C[NH+](C)C

InChI

InChI=1S/C21H27ClN2O2/c1-16-13-19(22)10-11-20(16)26-12-4-5-21(25)23-14-17-6-8-18(9-7-17)15-24(2)3/h6-11,13H,4-5,12,14-15H2,1-3H3,(H,23,25)/p+1