N,N-diethyl-3-[4-[(4-methylpiperidin-1-ium-1-yl)methyl]-5-sulfanylidene-1,3,4-oxadiazol-2-yl]benzenesulfonamide

Systemtic Name: N,N-diethyl-3-[4-[(4-methylpiperidin-1-ium-1-yl)methyl]-5-sulfanylidene-1,3,4-oxadiazol-2-yl]benzenesulfonamide Openeye Name: N,N-diethyl-3-[4-[(4-methylpiperidin-1-ium-1-yl)methyl]-5-thioxo-1,3,4-oxadiazol-2-yl]benzenesulfonamide CAS Name: N,N-diethyl-3-[4-[(4-methyl-1-piperidin-1-iumyl)methyl]-5-sulfanylidene-1,3,4-oxadiazol-2-yl]benzenesulfonamide IUPAC Name: N,N-diethyl-3-[4-[(4-methylpiperidin-1-ium-1-yl)methyl]-5-sulfanylidene-1,3,4-oxadiazol-2-yl]benzenesulfonamide Traditional Name: N,N-diethyl-3-[4-[(4-methylpiperidin-1-ium-1-yl)methyl]-5-thioxo-1,3,4-oxadiazol-2-yl]benzenesulfonamide Formula: C19H29N4O3S2+ MolecularWeight: 425.58856

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN(C(=S)O2)C[NH+]3CCC(CC3)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN(C(=S)O2)C[NH+]3CCC(CC3)C

InChI

InChI=1S/C19H28N4O3S2/c1-4-22(5-2)28(24,25)17-8-6-7-16(13-17)18-20-23(19(27)26-18)14-21-11-9-15(3)10-12-21/h6-8,13,15H,4-5,9-12,14H2,1-3H3/p+1