2-[1-[1-(2-phenylsulfanylethanoyl)piperidin-4-yl]-1,2,3-triazol-4-yl]propan-2-ylazanium

Systemtic Name: 2-[1-[1-(2-phenylsulfanylethanoyl)piperidin-4-yl]-1,2,3-triazol-4-yl]propan-2-ylazanium Openeye Name: [1-methyl-1-[1-[1-(2-phenylsulfanylacetyl)-4-piperidyl]triazol-4-yl]ethyl]ammonium CAS Name: 2-[1-[1-[1-oxo-2-(phenylthio)ethyl]-4-piperidinyl]-4-triazolyl]propan-2-ylammonium IUPAC Name: 2-[1-[1-(2-phenylsulfanylacetyl)piperidin-4-yl]triazol-4-yl]propan-2-ylazanium Traditional Name: [1-methyl-1-[1-[1-[2-(phenylthio)acetyl]-4-piperidyl]triazol-4-yl]ethyl]ammonium Formula: C18H26N5OS+ MolecularWeight: 360.49694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CN(N=N1)C2CCN(CC2)C(=O)CSC3=CC=CC=C3)[NH3+]

Isomeric SMILES

CC(C)(C1=CN(N=N1)C2CCN(CC2)C(=O)CSC3=CC=CC=C3)[NH3+]

InChI

InChI=1S/C18H25N5OS/c1-18(2,19)16-12-23(21-20-16)14-8-10-22(11-9-14)17(24)13-25-15-6-4-3-5-7-15/h3-7,12,14H,8-11,13,19H2,1-2H3/p+1