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

Systemtic Name: 3-chloranyl-N-[[4-ethyl-5-(2-morpholin-4-ium-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]methyl]aniline Openeye Name: 3-chloro-N-[[4-ethyl-5-(2-morpholin-4-ium-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]methyl]aniline CAS Name: 3-chloro-N-[[4-ethyl-5-[2-(4-morpholin-4-iumyl)ethylthio]-1,2,4-triazol-3-yl]methyl]aniline IUPAC Name: 3-chloro-N-[[4-ethyl-5-(2-morpholin-4-ium-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]methyl]aniline Traditional Name: (3-chlorophenyl)-[[4-ethyl-5-(2-morpholin-4-ium-4-ylethylthio)-1,2,4-triazol-3-yl]methyl]amine Formula: C17H25ClN5OS+ MolecularWeight: 382.9313

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC[NH+]2CCOCC2)CNC3=CC(=CC=C3)Cl

Isomeric SMILES

CCN1C(=NN=C1SCC[NH+]2CCOCC2)CNC3=CC(=CC=C3)Cl

InChI

InChI=1S/C17H24ClN5OS/c1-2-23-16(13-19-15-5-3-4-14(18)12-15)20-21-17(23)25-11-8-22-6-9-24-10-7-22/h3-5,12,19H,2,6-11,13H2,1H3/p+1