4-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazin-2-one

Systemtic Name: 4-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazin-2-one Openeye Name: 4-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazin-2-one CAS Name: 4-[5-(1-pyrrolidinylsulfonyl)-2-pyridin-1-iumyl]-2-piperazinone IUPAC Name: 4-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazin-2-one Traditional Name: 4-(5-pyrrolidinosulfonylpyridin-1-ium-2-yl)piperazin-2-one Formula: C13H19N4O3S+ MolecularWeight: 311.37996

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C[NH+]=C(C=C2)N3CCNC(=O)C3

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C[NH+]=C(C=C2)N3CCNC(=O)C3

InChI

InChI=1S/C13H18N4O3S/c18-13-10-16(8-5-14-13)12-4-3-11(9-15-12)21(19,20)17-6-1-2-7-17/h3-4,9H,1-2,5-8,10H2,(H,14,18)/p+1