1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-piperidin-1-ium-1-yl-ethanone

Systemtic Name: 1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-piperidin-1-ium-1-yl-ethanone Openeye Name: 1-[4-(2-naphthylsulfonyl)piperazin-1-yl]-2-piperidin-1-ium-1-yl-ethanone CAS Name: 1-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-2-(1-piperidin-1-iumyl)ethanone IUPAC Name: 1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-piperidin-1-ium-1-ylethanone Traditional Name: 1-[4-(2-naphthylsulfonyl)piperazino]-2-piperidin-1-ium-1-yl-ethanone Formula: C21H28N3O3S+ MolecularWeight: 402.53032

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CC[NH+](CC1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H27N3O3S/c25-21(17-22-10-4-1-5-11-22)23-12-14-24(15-13-23)28(26,27)20-9-8-18-6-2-3-7-19(18)16-20/h2-3,6-9,16H,1,4-5,10-15,17H2/p+1