3-(3,4-dimethylphenyl)sulfanyl-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]propanamide

Systemtic Name: 3-(3,4-dimethylphenyl)sulfanyl-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]propanamide Openeye Name: 3-(3,4-dimethylphenyl)sulfanyl-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]propanamide CAS Name: 3-[(3,4-dimethylphenyl)thio]-N-[2-(4-methyl-1-piperazin-4-iumyl)phenyl]propanamide IUPAC Name: 3-(3,4-dimethylphenyl)sulfanyl-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]propanamide Traditional Name: 3-[(3,4-dimethylphenyl)thio]-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]propionamide Formula: C22H30N3OS+ MolecularWeight: 384.5581

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3OS/c1-17-8-9-19(16-18(17)2)27-15-10-22(26)23-20-6-4-5-7-21(20)25-13-11-24(3)12-14-25/h4-9,16H,10-15H2,1-3H3,(H,23,26)/p+1