2-[(3S)-3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-ium-1-yl]-N-naphthalen-1-yl-ethanamide

Systemtic Name: 2-[(3S)-3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-ium-1-yl]-N-naphthalen-1-yl-ethanamide Openeye Name: 2-[(3S)-3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-ium-1-yl]-N-(1-naphthyl)acetamide CAS Name: 2-[(3S)-3-[4-methyl-5-(methylthio)-1,2,4-triazol-3-yl]-1-piperidin-1-iumyl]-N-(1-naphthalenyl)acetamide IUPAC Name: 2-[(3S)-3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-ium-1-yl]-N-naphthalen-1-ylacetamide Traditional Name: 2-[(3S)-3-[4-methyl-5-(methylthio)-1,2,4-triazol-3-yl]piperidin-1-ium-1-yl]-N-(1-naphthyl)acetamide Formula: C21H26N5OS+ MolecularWeight: 396.52904

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SC)C2CCC[NH+](C2)CC(=O)NC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CN1C(=NN=C1SC)[C@H]2CCC[NH+](C2)CC(=O)NC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C21H25N5OS/c1-25-20(23-24-21(25)28-2)16-9-6-12-26(13-16)14-19(27)22-18-11-5-8-15-7-3-4-10-17(15)18/h3-5,7-8,10-11,16H,6,9,12-14H2,1-2H3,(H,22,27)/p+1/t16-/m0/s1