2-[[4-ethyl-5-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-2-yl-ethanamide

Systemtic Name: 2-[[4-ethyl-5-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-2-yl-ethanamide Openeye Name: 2-[[4-ethyl-5-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-naphthyl)acetamide CAS Name: 2-[[4-ethyl-5-(4-morpholin-4-iumylmethyl)-1,2,4-triazol-3-yl]thio]-N-(2-naphthalenyl)acetamide IUPAC Name: 2-[[4-ethyl-5-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-2-ylacetamide Traditional Name: 2-[[4-ethyl-5-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazol-3-yl]thio]-N-(2-naphthyl)acetamide Formula: C21H26N5O2S+ MolecularWeight: 412.52844

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=CC3=CC=CC=C3C=C2)C[NH+]4CCOCC4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=CC3=CC=CC=C3C=C2)C[NH+]4CCOCC4

InChI

InChI=1S/C21H25N5O2S/c1-2-26-19(14-25-9-11-28-12-10-25)23-24-21(26)29-15-20(27)22-18-8-7-16-5-3-4-6-17(16)13-18/h3-8,13H,2,9-12,14-15H2,1H3,(H,22,27)/p+1