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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CCN(CC1)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H27N3O3S/c25-21(23-10-4-1-5-11-23)17-22-12-14-24(15-13-22)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