methyl-[(4-methylsulfanylphenyl)methyl]-[2-(4-piperidin-1-ylcarbonyl-1,2,3-triazol-1-yl)ethyl]azanium

Systemtic Name: methyl-[(4-methylsulfanylphenyl)methyl]-[2-(4-piperidin-1-ylcarbonyl-1,2,3-triazol-1-yl)ethyl]azanium Openeye Name: methyl-[(4-methylsulfanylphenyl)methyl]-[2-[4-(piperidine-1-carbonyl)triazol-1-yl]ethyl]ammonium CAS Name: methyl-[[4-(methylthio)phenyl]methyl]-[2-[4-[oxo(1-piperidinyl)methyl]-1-triazolyl]ethyl]ammonium IUPAC Name: methyl-[(4-methylsulfanylphenyl)methyl]-[2-[4-(piperidine-1-carbonyl)triazol-1-yl]ethyl]azanium Traditional Name: methyl-[4-(methylthio)benzyl]-[2-[4-(piperidine-1-carbonyl)triazol-1-yl]ethyl]ammonium Formula: C19H28N5OS+ MolecularWeight: 374.52352

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCN1C=C(N=N1)C(=O)N2CCCCC2)CC3=CC=C(C=C3)SC

Isomeric SMILES

C[NH+](CCN1C=C(N=N1)C(=O)N2CCCCC2)CC3=CC=C(C=C3)SC

InChI

InChI=1S/C19H27N5OS/c1-22(14-16-6-8-17(26-2)9-7-16)12-13-24-15-18(20-21-24)19(25)23-10-4-3-5-11-23/h6-9,15H,3-5,10-14H2,1-2H3/p+1