2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-methyl-N-[(4-methylsulfanylphenyl)methyl]ethanamide

Systemtic Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-methyl-N-[(4-methylsulfanylphenyl)methyl]ethanamide Openeye Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide CAS Name: 2-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]-N-methyl-N-[[4-(methylthio)phenyl]methyl]acetamide IUPAC Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide Traditional Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-methyl-N-[4-(methylthio)benzyl]acetamide Formula: C23H32N3OS+ MolecularWeight: 398.58468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC(=O)N(C)CC3=CC=C(C=C3)SC)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC(=O)N(C)CC3=CC=C(C=C3)SC)C

InChI

InChI=1S/C23H31N3OS/c1-18-6-5-7-22(19(18)2)26-14-12-25(13-15-26)17-23(27)24(3)16-20-8-10-21(28-4)11-9-20/h5-11H,12-17H2,1-4H3/p+1