methyl-[[1-[1-(2-methylsulfanylphenyl)carbonylpiperidin-4-yl]-1,2,3-triazol-4-yl]methyl]azanium

Systemtic Name: methyl-[[1-[1-(2-methylsulfanylphenyl)carbonylpiperidin-4-yl]-1,2,3-triazol-4-yl]methyl]azanium Openeye Name: methyl-[[1-[1-(2-methylsulfanylbenzoyl)-4-piperidyl]triazol-4-yl]methyl]ammonium CAS Name: methyl-[[1-[1-[[2-(methylthio)phenyl]-oxomethyl]-4-piperidinyl]-4-triazolyl]methyl]ammonium IUPAC Name: methyl-[[1-[1-(2-methylsulfanylbenzoyl)piperidin-4-yl]triazol-4-yl]methyl]azanium Traditional Name: methyl-[[1-[1-[2-(methylthio)benzoyl]-4-piperidyl]triazol-4-yl]methyl]ammonium Formula: C17H24N5OS+ MolecularWeight: 346.47036

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]CC1=CN(N=N1)C2CCN(CC2)C(=O)C3=CC=CC=C3SC

Isomeric SMILES

C[NH2+]CC1=CN(N=N1)C2CCN(CC2)C(=O)C3=CC=CC=C3SC

InChI

InChI=1S/C17H23N5OS/c1-18-11-13-12-22(20-19-13)14-7-9-21(10-8-14)17(23)15-5-3-4-6-16(15)24-2/h3-6,12,14,18H,7-11H2,1-2H3/p+1