1-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]piperidin-1-ium

Systemtic Name: 1-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]piperidin-1-ium Openeye Name: 1-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]piperidin-1-ium CAS Name: 1-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]ethyl]piperidin-1-ium IUPAC Name: 1-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]piperidin-1-ium Traditional Name: 1-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]ethyl]piperidin-1-ium Formula: C15H21N4S+ MolecularWeight: 289.41904

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCSC2=NNC(=N2)C3=CC=CC=C3

Isomeric SMILES

C1CC[NH+](CC1)CCSC2=NNC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C15H20N4S/c1-3-7-13(8-4-1)14-16-15(18-17-14)20-12-11-19-9-5-2-6-10-19/h1,3-4,7-8H,2,5-6,9-12H2,(H,16,17,18)/p+1