2-(2,4-dimethylphenyl)sulfanyl-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]ethanamide

Systemtic Name: 2-(2,4-dimethylphenyl)sulfanyl-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]ethanamide Openeye Name: 2-(2,4-dimethylphenyl)sulfanyl-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]acetamide CAS Name: 2-[(2,4-dimethylphenyl)thio]-N-[2-(4-methyl-1-piperazin-4-iumyl)phenyl]acetamide IUPAC Name: 2-(2,4-dimethylphenyl)sulfanyl-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]acetamide Traditional Name: 2-[(2,4-dimethylphenyl)thio]-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]acetamide Formula: C21H28N3OS+ MolecularWeight: 370.53152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SCC(=O)NC2=CC=CC=C2N3CC[NH+](CC3)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)SCC(=O)NC2=CC=CC=C2N3CC[NH+](CC3)C)C

InChI

InChI=1S/C21H27N3OS/c1-16-8-9-20(17(2)14-16)26-15-21(25)22-18-6-4-5-7-19(18)24-12-10-23(3)11-13-24/h4-9,14H,10-13,15H2,1-3H3,(H,22,25)/p+1