[2-[[2-[(4,5-dimethoxy-2-methyl-phenyl)methylsulfanyl]ethanoylamino]methyl]phenyl]methyl-dimethyl-azanium

Systemtic Name: [2-[[2-[(4,5-dimethoxy-2-methyl-phenyl)methylsulfanyl]ethanoylamino]methyl]phenyl]methyl-dimethyl-azanium Openeye Name: [2-[[[2-[(4,5-dimethoxy-2-methyl-phenyl)methylsulfanyl]acetyl]amino]methyl]phenyl]methyl-dimethyl-ammonium CAS Name: [2-[[[2-[(4,5-dimethoxy-2-methylphenyl)methylthio]-1-oxoethyl]amino]methyl]phenyl]methyl-dimethylammonium IUPAC Name: [2-[[[2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetyl]amino]methyl]phenyl]methyl-dimethylazanium Traditional Name: [2-[[[2-[(4,5-dimethoxy-2-methyl-benzyl)thio]acetyl]amino]methyl]benzyl]-dimethyl-ammonium Formula: C22H31N2O3S+ MolecularWeight: 403.55814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CSCC(=O)NCC2=CC=CC=C2C[NH+](C)C)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1CSCC(=O)NCC2=CC=CC=C2C[NH+](C)C)OC)OC

InChI

InChI=1S/C22H30N2O3S/c1-16-10-20(26-4)21(27-5)11-19(16)14-28-15-22(25)23-12-17-8-6-7-9-18(17)13-24(2)3/h6-11H,12-15H2,1-5H3,(H,23,25)/p+1