phenyl-[4-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-yl]methanone

Systemtic Name: phenyl-[4-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-yl]methanone Openeye Name: phenyl-[4-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-yl]methanone CAS Name: phenyl-[4-[5-(1-pyrrolidinylsulfonyl)-2-pyridin-1-iumyl]-1-piperazinyl]methanone IUPAC Name: phenyl-[4-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-yl]methanone Traditional Name: phenyl-[4-(5-pyrrolidinosulfonylpyridin-1-ium-2-yl)piperazino]methanone Formula: C20H25N4O3S+ MolecularWeight: 401.5025

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C[NH+]=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C[NH+]=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H24N4O3S/c25-20(17-6-2-1-3-7-17)23-14-12-22(13-15-23)19-9-8-18(16-21-19)28(26,27)24-10-4-5-11-24/h1-3,6-9,16H,4-5,10-15H2/p+1