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

Systemtic Name: 1-[4-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-yl]ethanone Openeye Name: 1-[4-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-yl]ethanone CAS Name: 1-[4-[5-(1-pyrrolidinylsulfonyl)-2-pyridin-1-iumyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-yl]ethanone Traditional Name: 1-[4-(5-pyrrolidinosulfonylpyridin-1-ium-2-yl)piperazino]ethanone Formula: C15H23N4O3S+ MolecularWeight: 339.43312

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=[NH+]C=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=[NH+]C=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C15H22N4O3S/c1-13(20)17-8-10-18(11-9-17)15-5-4-14(12-16-15)23(21,22)19-6-2-3-7-19/h4-5,12H,2-3,6-11H2,1H3/p+1