(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-(1-oxidanidylpyridin-1-ium-3-yl)methanone

Systemtic Name: (4-naphthalen-2-ylsulfonylpiperazin-1-yl)-(1-oxidanidylpyridin-1-ium-3-yl)methanone Openeye Name: [4-(2-naphthylsulfonyl)piperazin-1-yl]-(1-oxidopyridin-1-ium-3-yl)methanone CAS Name: [4-(2-naphthalenylsulfonyl)-1-piperazinyl]-(1-oxido-3-pyridin-1-iumyl)methanone IUPAC Name: (4-naphthalen-2-ylsulfonylpiperazin-1-yl)-(1-oxidopyridin-1-ium-3-yl)methanone Traditional Name: [4-(2-naphthylsulfonyl)piperazino]-(1-oxidopyridin-1-ium-3-yl)methanone Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O4S/c24-20(18-6-3-9-22(25)15-18)21-10-12-23(13-11-21)28(26,27)19-8-7-16-4-1-2-5-17(16)14-19/h1-9,14-15H,10-13H2