1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-(4-methylpiperidin-1-ium-1-yl)ethanone

Systemtic Name: 1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-(4-methylpiperidin-1-ium-1-yl)ethanone Openeye Name: 1-(4-indan-5-ylsulfonylpiperazin-1-yl)-2-(4-methylpiperidin-1-ium-1-yl)ethanone CAS Name: 1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazinyl]-2-(4-methyl-1-piperidin-1-iumyl)ethanone IUPAC Name: 1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-(4-methylpiperidin-1-ium-1-yl)ethanone Traditional Name: 1-(4-indan-5-ylsulfonylpiperazino)-2-(4-methylpiperidin-1-ium-1-yl)ethanone Formula: C21H32N3O3S+ MolecularWeight: 406.56208

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3

Isomeric SMILES

CC1CC[NH+](CC1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3

InChI

InChI=1S/C21H31N3O3S/c1-17-7-9-22(10-8-17)16-21(25)23-11-13-24(14-12-23)28(26,27)20-6-5-18-3-2-4-19(18)15-20/h5-6,15,17H,2-4,7-14,16H2,1H3/p+1