2-(2-methylphenyl)-5-piperidin-1-ium-4-ylsulfanyl-1,3,4-thiadiazole

Systemtic Name: 2-(2-methylphenyl)-5-piperidin-1-ium-4-ylsulfanyl-1,3,4-thiadiazole Openeye Name: 2-(o-tolyl)-5-piperidin-1-ium-4-ylsulfanyl-1,3,4-thiadiazole CAS Name: 2-(2-methylphenyl)-5-(4-piperidin-1-iumylthio)-1,3,4-thiadiazole IUPAC Name: 2-(2-methylphenyl)-5-piperidin-1-ium-4-ylsulfanyl-1,3,4-thiadiazole Traditional Name: 2-(o-tolyl)-5-(piperidin-1-ium-4-ylthio)-1,3,4-thiadiazole Formula: C14H18N3S2+ MolecularWeight: 292.44282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN=C(S2)SC3CC[NH2+]CC3

Isomeric SMILES

CC1=CC=CC=C1C2=NN=C(S2)SC3CC[NH2+]CC3

InChI

InChI=1S/C14H17N3S2/c1-10-4-2-3-5-12(10)13-16-17-14(19-13)18-11-6-8-15-9-7-11/h2-5,11,15H,6-9H2,1H3/p+1