4-[2-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]piperidin-1-ium

Systemtic Name: 4-[2-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]piperidin-1-ium Openeye Name: 4-(5-benzylsulfanyl-2-methyl-1,2,4-triazol-3-yl)piperidin-1-ium CAS Name: 4-[2-methyl-5-(phenylmethylthio)-1,2,4-triazol-3-yl]piperidin-1-ium IUPAC Name: 4-(5-benzylsulfanyl-2-methyl-1,2,4-triazol-3-yl)piperidin-1-ium Traditional Name: 4-[5-(benzylthio)-2-methyl-1,2,4-triazol-3-yl]piperidin-1-ium Formula: C15H21N4S+ MolecularWeight: 289.41904

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC(=N1)SCC2=CC=CC=C2)C3CC[NH2+]CC3

Isomeric SMILES

CN1C(=NC(=N1)SCC2=CC=CC=C2)C3CC[NH2+]CC3

InChI

InChI=1S/C15H20N4S/c1-19-14(13-7-9-16-10-8-13)17-15(18-19)20-11-12-5-3-2-4-6-12/h2-6,13,16H,7-11H2,1H3/p+1