N-[1-[(4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidin-1-ium-4-yl]benzamide

Systemtic Name: N-[1-[(4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidin-1-ium-4-yl]benzamide Openeye Name: N-[1-[(4-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperidin-1-ium-4-yl]benzamide CAS Name: N-[1-[(4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-4-piperidin-1-iumyl]benzamide IUPAC Name: N-[1-[(4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidin-1-ium-4-yl]benzamide Traditional Name: N-[1-[(4-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperidin-1-ium-4-yl]benzamide Formula: C16H22N5OS+ MolecularWeight: 332.44378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN(C1=S)C[NH+]2CCC(CC2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CN1C=NN(C1=S)C[NH+]2CCC(CC2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C16H21N5OS/c1-19-11-17-21(16(19)23)12-20-9-7-14(8-10-20)18-15(22)13-5-3-2-4-6-13/h2-6,11,14H,7-10,12H2,1H3,(H,18,22)/p+1