2-(4-oxidanylpiperidin-1-ium-1-yl)-1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(4-oxidanylpiperidin-1-ium-1-yl)-1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]ethanone Openeye Name: 2-(4-hydroxypiperidin-1-ium-1-yl)-1-(4-tetralin-6-ylsulfonylpiperazin-1-yl)ethanone CAS Name: 2-(4-hydroxy-1-piperidin-1-iumyl)-1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-hydroxypiperidin-1-ium-1-yl)-1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]ethanone Traditional Name: 2-(4-hydroxypiperidin-1-ium-1-yl)-1-(4-tetralin-6-ylsulfonylpiperazino)ethanone Formula: C21H32N3O4S+ MolecularWeight: 422.56148

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=CC(=C2)S(=O)(=O)N3CCN(CC3)C(=O)C[NH+]4CCC(CC4)O

Isomeric SMILES

C1CCC2=C(C1)C=CC(=C2)S(=O)(=O)N3CCN(CC3)C(=O)C[NH+]4CCC(CC4)O

InChI

InChI=1S/C21H31N3O4S/c25-19-7-9-22(10-8-19)16-21(26)23-11-13-24(14-12-23)29(27,28)20-6-5-17-3-1-2-4-18(17)15-20/h5-6,15,19,25H,1-4,7-14,16H2/p+1