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

Systemtic Name: 2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]-1-(1-piperidyl)ethanone CAS Name: 2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]-1-piperidin-1-ylethanone Traditional Name: 2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]-1-piperidino-ethanone Formula: C15H19N4OS+ MolecularWeight: 303.40256

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CSC2=[N+](NC=N2)C3=CC=CC=C3

Isomeric SMILES

C1CCN(CC1)C(=O)CSC2=[N+](NC=N2)C3=CC=CC=C3

InChI

InChI=1S/C15H18N4OS/c20-14(18-9-5-2-6-10-18)11-21-15-16-12-17-19(15)13-7-3-1-4-8-13/h1,3-4,7-8,12H,2,5-6,9-11H2/p+1