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

Systemtic Name: 2-[4-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanoyl]piperazin-1-ium-1-yl]-1-morpholin-4-yl-ethanone Openeye Name: 2-[4-(2-indan-5-ylsulfanylacetyl)piperazin-1-ium-1-yl]-1-morpholino-ethanone CAS Name: 2-[4-[2-(2,3-dihydro-1H-inden-5-ylthio)-1-oxoethyl]-1-piperazin-1-iumyl]-1-(4-morpholinyl)ethanone IUPAC Name: 2-[4-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]piperazin-1-ium-1-yl]-1-morpholin-4-ylethanone Traditional Name: 2-[4-[2-(indan-5-ylthio)acetyl]piperazin-1-ium-1-yl]-1-morpholino-ethanone Formula: C21H30N3O3S+ MolecularWeight: 404.5462

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)SCC(=O)N3CC[NH+](CC3)CC(=O)N4CCOCC4

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)SCC(=O)N3CC[NH+](CC3)CC(=O)N4CCOCC4

InChI

InChI=1S/C21H29N3O3S/c25-20(24-10-12-27-13-11-24)15-22-6-8-23(9-7-22)21(26)16-28-19-5-4-17-2-1-3-18(17)14-19/h4-5,14H,1-3,6-13,15-16H2/p+1