1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-(3-oxidanylpyridin-1-ium-1-yl)ethanone

Systemtic Name: 1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-(3-oxidanylpyridin-1-ium-1-yl)ethanone Openeye Name: 2-(3-hydroxypyridin-1-ium-1-yl)-1-[4-(2-naphthylsulfonyl)piperazin-1-yl]ethanone CAS Name: 2-(3-hydroxy-1-pyridin-1-iumyl)-1-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]ethanone IUPAC Name: 2-(3-hydroxypyridin-1-ium-1-yl)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone Traditional Name: 2-(3-hydroxypyridin-1-ium-1-yl)-1-[4-(2-naphthylsulfonyl)piperazino]ethanone Formula: C21H22N3O4S+ MolecularWeight: 412.48208

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C[N+]2=CC=CC(=C2)O)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CN(CCN1C(=O)C[N+]2=CC=CC(=C2)O)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H21N3O4S/c25-19-6-3-9-22(15-19)16-21(26)23-10-12-24(13-11-23)29(27,28)20-8-7-17-4-1-2-5-18(17)14-20/h1-9,14-15H,10-13,16H2/p+1