5-(4-methylphenyl)-4-[2-[(2-methyl-2-piperidin-1-ium-1-yl-propyl)amino]-2-oxidanylidene-ethyl]-1,2,4-triazole-3-thiolate

Systemtic Name: 5-(4-methylphenyl)-4-[2-[(2-methyl-2-piperidin-1-ium-1-yl-propyl)amino]-2-oxidanylidene-ethyl]-1,2,4-triazole-3-thiolate Openeye Name: 4-[2-[(2-methyl-2-piperidin-1-ium-1-yl-propyl)amino]-2-oxo-ethyl]-5-(p-tolyl)-1,2,4-triazole-3-thiolate CAS Name: 5-(4-methylphenyl)-4-[2-[[2-methyl-2-(1-piperidin-1-iumyl)propyl]amino]-2-oxoethyl]-1,2,4-triazole-3-thiolate IUPAC Name: 5-(4-methylphenyl)-4-[2-[(2-methyl-2-piperidin-1-ium-1-ylpropyl)amino]-2-oxoethyl]-1,2,4-triazole-3-thiolate Traditional Name: 4-[2-keto-2-[(2-methyl-2-piperidin-1-ium-1-yl-propyl)amino]ethyl]-5-(p-tolyl)-1,2,4-triazole-3-thiolate Formula: C20H29N5OS MolecularWeight: 387.54216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2CC(=O)NCC(C)(C)[NH+]3CCCCC3)[S-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2CC(=O)NCC(C)(C)[NH+]3CCCCC3)[S-]

InChI

InChI=1S/C20H29N5OS/c1-15-7-9-16(10-8-15)18-22-23-19(27)25(18)13-17(26)21-14-20(2,3)24-11-5-4-6-12-24/h7-10H,4-6,11-14H2,1-3H3,(H,21,26)(H,23,27)