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

Systemtic Name: 2-[4-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)piperidin-1-ium-1-yl]-N-naphthalen-1-yl-ethanamide Openeye Name: 2-[4-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)piperidin-1-ium-1-yl]-N-(1-naphthyl)acetamide CAS Name: 2-[4-[5-(ethylthio)-4-methyl-1,2,4-triazol-3-yl]-1-piperidin-1-iumyl]-N-(1-naphthalenyl)acetamide IUPAC Name: 2-[4-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)piperidin-1-ium-1-yl]-N-naphthalen-1-ylacetamide Traditional Name: 2-[4-[5-(ethylthio)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-ium-1-yl]-N-(1-naphthyl)acetamide Formula: C22H28N5OS+ MolecularWeight: 410.55562

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(N1C)C2CC[NH+](CC2)CC(=O)NC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCSC1=NN=C(N1C)C2CC[NH+](CC2)CC(=O)NC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C22H27N5OS/c1-3-29-22-25-24-21(26(22)2)17-11-13-27(14-12-17)15-20(28)23-19-10-6-8-16-7-4-5-9-18(16)19/h4-10,17H,3,11-15H2,1-2H3,(H,23,28)/p+1