4-[2-oxidanylidene-2-(4-sulfonylpiperazin-4-ium-1-yl)ethyl]benzenecarboximidamide

Systemtic Name: 4-[2-oxidanylidene-2-(4-sulfonylpiperazin-4-ium-1-yl)ethyl]benzenecarboximidamide Openeye Name: 4-[2-oxo-2-(4-sulfonylpiperazin-4-ium-1-yl)ethyl]benzamidine CAS Name: 4-[2-oxo-2-(4-sulfonyl-1-piperazin-4-iumyl)ethyl]benzenecarboximidamide IUPAC Name: 4-[2-oxo-2-(4-sulfonylpiperazin-4-ium-1-yl)ethyl]benzenecarboximidamide Traditional Name: 4-[2-keto-2-(4-sulfonylpiperazin-4-ium-1-yl)ethyl]benzamidine Formula: C13H17N4O3S+ MolecularWeight: 309.36408

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](=S(=O)=O)CCN1C(=O)CC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

C1C[N+](=S(=O)=O)CCN1C(=O)CC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C13H17N4O3S/c14-13(15)11-3-1-10(2-4-11)9-12(18)16-5-7-17(8-6-16)21(19)20/h1-4H,5-9H2,(H3,14,15)/q+1