(2R)-2-[[4-phenyl-5-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: (2R)-2-[[4-phenyl-5-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: (2R)-2-[[4-phenyl-5-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: (2R)-2-[[4-phenyl-5-(1-piperidin-1-iumylmethyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: (2R)-2-[[4-phenyl-5-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: (2R)-2-[[4-phenyl-5-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C17H24N5OS+ MolecularWeight: 346.47036

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)SC1=NN=C(N1C2=CC=CC=C2)C[NH+]3CCCCC3

Isomeric SMILES

C[C@H](C(=O)N)SC1=NN=C(N1C2=CC=CC=C2)C[NH+]3CCCCC3

InChI

InChI=1S/C17H23N5OS/c1-13(16(18)23)24-17-20-19-15(12-21-10-6-3-7-11-21)22(17)14-8-4-2-5-9-14/h2,4-5,8-9,13H,3,6-7,10-12H2,1H3,(H2,18,23)/p+1/t13-/m1/s1