4-[4-[2-(diethylamino)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]sulfonyl-N-methyl-benzamide

Systemtic Name: 4-[4-[2-(diethylamino)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]sulfonyl-N-methyl-benzamide Openeye Name: 4-[4-[2-(diethylamino)-2-oxo-ethyl]piperazin-4-ium-1-yl]sulfonyl-N-methyl-benzamide CAS Name: 4-[[4-[2-(diethylamino)-2-oxoethyl]-1-piperazin-4-iumyl]sulfonyl]-N-methylbenzamide IUPAC Name: 4-[4-[2-(diethylamino)-2-oxoethyl]piperazin-4-ium-1-yl]sulfonyl-N-methylbenzamide Traditional Name: 4-[4-[2-(diethylamino)-2-keto-ethyl]piperazin-4-ium-1-yl]sulfonyl-N-methyl-benzamide Formula: C18H29N4O4S+ MolecularWeight: 397.51226

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC

Isomeric SMILES

CCN(CC)C(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC

InChI

InChI=1S/C18H28N4O4S/c1-4-21(5-2)17(23)14-20-10-12-22(13-11-20)27(25,26)16-8-6-15(7-9-16)18(24)19-3/h6-9H,4-5,10-14H2,1-3H3,(H,19,24)/p+1