N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(4-methylpiperazine-1,4-diium-1-yl)ethanamide

Systemtic Name: N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(4-methylpiperazine-1,4-diium-1-yl)ethanamide Openeye Name: N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide CAS Name: N-[4-[(3,4-dimethylphenyl)thio]phenyl]-2-(4-methyl-1-piperazine-1,4-diiumyl)acetamide IUPAC Name: N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide Traditional Name: N-[4-[(3,4-dimethylphenyl)thio]phenyl]-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide Formula: C21H29N3OS+2 MolecularWeight: 371.53946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC2=CC=C(C=C2)NC(=O)C[NH+]3CC[NH+](CC3)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)SC2=CC=C(C=C2)NC(=O)C[NH+]3CC[NH+](CC3)C)C

InChI

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