dimethyl-[[2-[[3-(4-methylphenyl)sulfonylpropanoylamino]methyl]phenyl]methyl]azanium

Systemtic Name: dimethyl-[[2-[[3-(4-methylphenyl)sulfonylpropanoylamino]methyl]phenyl]methyl]azanium Openeye Name: dimethyl-[[2-[[3-(p-tolylsulfonyl)propanoylamino]methyl]phenyl]methyl]ammonium CAS Name: dimethyl-[[2-[[[3-(4-methylphenyl)sulfonyl-1-oxopropyl]amino]methyl]phenyl]methyl]ammonium IUPAC Name: dimethyl-[[2-[[3-(4-methylphenyl)sulfonylpropanoylamino]methyl]phenyl]methyl]azanium Traditional Name: dimethyl-[2-[(3-tosylpropanoylamino)methyl]benzyl]ammonium Formula: C20H27N2O3S+ MolecularWeight: 375.50498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NCC2=CC=CC=C2C[NH+](C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NCC2=CC=CC=C2C[NH+](C)C

InChI

InChI=1S/C20H26N2O3S/c1-16-8-10-19(11-9-16)26(24,25)13-12-20(23)21-14-17-6-4-5-7-18(17)15-22(2)3/h4-11H,12-15H2,1-3H3,(H,21,23)/p+1