N,N-diethyl-6-(3-oxidanylidenepiperazin-1-yl)pyridin-1-ium-3-sulfonamide

Systemtic Name: N,N-diethyl-6-(3-oxidanylidenepiperazin-1-yl)pyridin-1-ium-3-sulfonamide Openeye Name: N,N-diethyl-6-(3-oxopiperazin-1-yl)pyridin-1-ium-3-sulfonamide CAS Name: N,N-diethyl-6-(3-oxo-1-piperazinyl)-3-pyridin-1-iumsulfonamide IUPAC Name: N,N-diethyl-6-(3-oxopiperazin-1-yl)pyridin-1-ium-3-sulfonamide Traditional Name: N,N-diethyl-6-(3-ketopiperazino)pyridin-1-ium-3-sulfonamide Formula: C13H21N4O3S+ MolecularWeight: 313.39584

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=C[NH+]=C(C=C1)N2CCNC(=O)C2

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C[NH+]=C(C=C1)N2CCNC(=O)C2

InChI

InChI=1S/C13H20N4O3S/c1-3-17(4-2)21(19,20)11-5-6-12(15-9-11)16-8-7-14-13(18)10-16/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,14,18)/p+1