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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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