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

Systemtic Name: 2,4-dimethyl-N-[[5-(2-morpholin-4-ium-4-ylethylsulfanyl)-4-phenyl-1,2,4-triazol-3-yl]methyl]aniline Openeye Name: 2,4-dimethyl-N-[[5-(2-morpholin-4-ium-4-ylethylsulfanyl)-4-phenyl-1,2,4-triazol-3-yl]methyl]aniline CAS Name: 2,4-dimethyl-N-[[5-[2-(4-morpholin-4-iumyl)ethylthio]-4-phenyl-1,2,4-triazol-3-yl]methyl]aniline IUPAC Name: 2,4-dimethyl-N-[[5-(2-morpholin-4-ium-4-ylethylsulfanyl)-4-phenyl-1,2,4-triazol-3-yl]methyl]aniline Traditional Name: (2,4-dimethylphenyl)-[[5-(2-morpholin-4-ium-4-ylethylthio)-4-phenyl-1,2,4-triazol-3-yl]methyl]amine Formula: C23H30N5OS+ MolecularWeight: 424.5822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N5OS/c1-18-8-9-21(19(2)16-18)24-17-22-25-26-23(28(22)20-6-4-3-5-7-20)30-15-12-27-10-13-29-14-11-27/h3-9,16,24H,10-15,17H2,1-2H3/p+1