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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3

Isomeric SMILES

C1CCC[NH+](CC1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3

InChI

InChI=1S/C21H31N3O3S/c25-21(17-22-10-3-1-2-4-11-22)23-12-14-24(15-13-23)28(26,27)20-9-8-18-6-5-7-19(18)16-20/h8-9,16H,1-7,10-15,17H2/p+1