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

Systemtic Name: 2-(2,3-dimethylpyridin-1-ium-1-yl)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone Openeye Name: 2-(2,3-dimethylpyridin-1-ium-1-yl)-1-[4-(2-naphthylsulfonyl)piperazin-1-yl]ethanone CAS Name: 2-(2,3-dimethyl-1-pyridin-1-iumyl)-1-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]ethanone IUPAC Name: 2-(2,3-dimethylpyridin-1-ium-1-yl)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone Traditional Name: 2-(2,3-dimethylpyridin-1-ium-1-yl)-1-[4-(2-naphthylsulfonyl)piperazino]ethanone Formula: C23H26N3O3S+ MolecularWeight: 424.53584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([N+](=CC=C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)C

Isomeric SMILES

CC1=C([N+](=CC=C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)C

InChI

InChI=1S/C23H26N3O3S/c1-18-6-5-11-25(19(18)2)17-23(27)24-12-14-26(15-13-24)30(28,29)22-10-9-20-7-3-4-8-21(20)16-22/h3-11,16H,12-15,17H2,1-2H3/q+1