2-[4-[2-(2-methylphenyl)sulfanylethanoyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-[2-(2-methylphenyl)sulfanylethanoyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-[2-(o-tolylsulfanyl)acetyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[2-[(2-methylphenyl)thio]-1-oxoethyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-[2-(2-methylphenyl)sulfanylacetyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-[2-(o-tolylthio)acetyl]piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C19H28N3O2S+ MolecularWeight: 362.50952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC(=O)N2CC[NH+](CC2)CC(=O)N3CCCC3

Isomeric SMILES

CC1=CC=CC=C1SCC(=O)N2CC[NH+](CC2)CC(=O)N3CCCC3

InChI

InChI=1S/C19H27N3O2S/c1-16-6-2-3-7-17(16)25-15-19(24)22-12-10-20(11-13-22)14-18(23)21-8-4-5-9-21/h2-3,6-7H,4-5,8-15H2,1H3/p+1