N-[2-[4-methyl-5-(2-morpholin-4-ium-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]naphthalene-1-carboxamide

Systemtic Name: N-[2-[4-methyl-5-(2-morpholin-4-ium-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]naphthalene-1-carboxamide Openeye Name: N-[2-[4-methyl-5-(2-morpholin-4-ium-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]naphthalene-1-carboxamide CAS Name: N-[2-[4-methyl-5-[2-(4-morpholin-4-iumyl)ethylthio]-1,2,4-triazol-3-yl]ethyl]-1-naphthalenecarboxamide IUPAC Name: N-[2-[4-methyl-5-(2-morpholin-4-ium-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]naphthalene-1-carboxamide Traditional Name: N-[2-[4-methyl-5-(2-morpholin-4-ium-4-ylethylthio)-1,2,4-triazol-3-yl]ethyl]-1-naphthamide Formula: C22H28N5O2S+ MolecularWeight: 426.55502

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC[NH+]2CCOCC2)CCNC(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CN1C(=NN=C1SCC[NH+]2CCOCC2)CCNC(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C22H27N5O2S/c1-26-20(24-25-22(26)30-16-13-27-11-14-29-15-12-27)9-10-23-21(28)19-8-4-6-17-5-2-3-7-18(17)19/h2-8H,9-16H2,1H3,(H,23,28)/p+1