2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone

Systemtic Name: 2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone Openeye Name: 2-[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone CAS Name: 2-[4-(2-naphthalenylsulfonyl)-1-piperazin-1-iumyl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone IUPAC Name: 2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone Traditional Name: 2-[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]-1-(3-phenyl-2-pyrazolin-1-yl)ethanone Formula: C25H27N4O3S+ MolecularWeight: 463.57188

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(N=C1C2=CC=CC=C2)C(=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CN(N=C1C2=CC=CC=C2)C(=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C25H26N4O3S/c30-25(29-13-12-24(26-29)21-7-2-1-3-8-21)19-27-14-16-28(17-15-27)33(31,32)23-11-10-20-6-4-5-9-22(20)18-23/h1-11,18H,12-17,19H2/p+1