2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxidanylidene-ethanamide

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxidanylidene-ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxo-acetamide CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxoacetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxoacetamide Traditional Name: 2-keto-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(4-piperonylpiperazin-4-ium-1-yl)acetamide Formula: C17H20N5O4S+ MolecularWeight: 390.4368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)NC(=O)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=NN=C(S1)NC(=O)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H19N5O4S/c1-11-19-20-17(27-11)18-15(23)16(24)22-6-4-21(5-7-22)9-12-2-3-13-14(8-12)26-10-25-13/h2-3,8H,4-7,9-10H2,1H3,(H,18,20,23)/p+1