2-[4-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanoyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanoyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-(2-indan-5-ylsulfanylacetyl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[2-(2,3-dihydro-1H-inden-5-ylthio)-1-oxoethyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-[2-(indan-5-ylthio)acetyl]piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C21H30N3O2S+ MolecularWeight: 388.5468

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)CSC3=CC4=C(CCC4)C=C3

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)CSC3=CC4=C(CCC4)C=C3

InChI

InChI=1S/C21H29N3O2S/c25-20(23-8-1-2-9-23)15-22-10-12-24(13-11-22)21(26)16-27-19-7-6-17-4-3-5-18(17)14-19/h6-7,14H,1-5,8-13,15-16H2/p+1