2-(3,4-dimethylphenyl)sulfanyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-(3,4-dimethylphenyl)sulfanyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-(3,4-dimethylphenyl)sulfanyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[(3,4-dimethylphenyl)thio]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-(3,4-dimethylphenyl)sulfanyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[(3,4-dimethylphenyl)thio]-1-(4-pyridin-1-ium-2-ylpiperazino)ethanone Formula: C19H24N3OS+ MolecularWeight: 342.47836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)C

InChI

InChI=1S/C19H23N3OS/c1-15-6-7-17(13-16(15)2)24-14-19(23)22-11-9-21(10-12-22)18-5-3-4-8-20-18/h3-8,13H,9-12,14H2,1-2H3/p+1