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

Systemtic Name: 3-methyl-N-[[5-(2-morpholin-4-ium-4-ylethylsulfanyl)-4-phenyl-1,2,4-triazol-3-yl]methyl]aniline Openeye Name: 3-methyl-N-[[5-(2-morpholin-4-ium-4-ylethylsulfanyl)-4-phenyl-1,2,4-triazol-3-yl]methyl]aniline CAS Name: 3-methyl-N-[[5-[2-(4-morpholin-4-iumyl)ethylthio]-4-phenyl-1,2,4-triazol-3-yl]methyl]aniline IUPAC Name: 3-methyl-N-[[5-(2-morpholin-4-ium-4-ylethylsulfanyl)-4-phenyl-1,2,4-triazol-3-yl]methyl]aniline Traditional Name: [5-(2-morpholin-4-ium-4-ylethylthio)-4-phenyl-1,2,4-triazol-3-yl]methyl-(m-tolyl)amine Formula: C22H28N5OS+ MolecularWeight: 410.55562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NCC2=NN=C(N2C3=CC=CC=C3)SCC[NH+]4CCOCC4

Isomeric SMILES

CC1=CC(=CC=C1)NCC2=NN=C(N2C3=CC=CC=C3)SCC[NH+]4CCOCC4

InChI

InChI=1S/C22H27N5OS/c1-18-6-5-7-19(16-18)23-17-21-24-25-22(27(21)20-8-3-2-4-9-20)29-15-12-26-10-13-28-14-11-26/h2-9,16,23H,10-15,17H2,1H3/p+1