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

Systemtic Name: (3S)-3-[4-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]piperidin-1-ium Openeye Name: (3S)-3-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)piperidin-1-ium CAS Name: (3S)-3-[4-methyl-5-(phenylmethylthio)-1,2,4-triazol-3-yl]piperidin-1-ium IUPAC Name: (3S)-3-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)piperidin-1-ium Traditional Name: (3S)-3-[5-(benzylthio)-4-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(=NN=C1SCC2=CC=CC=C2)C3CCC[NH2+]C3

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=CC=C2)[C@H]3CCC[NH2+]C3

InChI

InChI=1S/C15H20N4S/c1-19-14(13-8-5-9-16-10-13)17-18-15(19)20-11-12-6-3-2-4-7-12/h2-4,6-7,13,16H,5,8-11H2,1H3/p+1/t13-/m0/s1