2-[2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]ethanoylamino]-N-methyl-ethanamide

Systemtic Name: 2-[2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]ethanoylamino]-N-methyl-ethanamide Openeye Name: 2-[[2-(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)acetyl]amino]-N-methyl-acetamide CAS Name: 2-[[2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-N-methylacetamide IUPAC Name: 2-[[2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]acetyl]amino]-N-methylacetamide Traditional Name: 2-[[2-(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)acetyl]amino]-N-methyl-acetamide Formula: C18H27N4O4S+ MolecularWeight: 395.49638

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CNC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC3=C(CCC3)C=C2

Isomeric SMILES

CNC(=O)CNC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC3=C(CCC3)C=C2

InChI

InChI=1S/C18H26N4O4S/c1-19-17(23)12-20-18(24)13-21-7-9-22(10-8-21)27(25,26)16-6-5-14-3-2-4-15(14)11-16/h5-6,11H,2-4,7-10,12-13H2,1H3,(H,19,23)(H,20,24)/p+1