N-(1,3-benzodioxol-5-yl)-1-[(5-methyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[(5-methyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[(5-methyl-2-thioxo-1,3,4-thiadiazol-3-yl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[(5-methyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[(5-methyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[(5-methyl-2-thioxo-1,3,4-thiadiazol-3-yl)methyl]piperidin-1-ium-4-carboxamide Formula: C17H21N4O3S2+ MolecularWeight: 393.50364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=S)S1)C[NH+]2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=NN(C(=S)S1)C[NH+]2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H20N4O3S2/c1-11-19-21(17(25)26-11)9-20-6-4-12(5-7-20)16(22)18-13-2-3-14-15(8-13)24-10-23-14/h2-3,8,12H,4-7,9-10H2,1H3,(H,18,22)/p+1