2-tert-butyl-N-[(5-methyl-4-phenyl-1H-1,2,4-triazol-4-ium-3-yl)methyl]aniline

Systemtic Name: 2-tert-butyl-N-[(5-methyl-4-phenyl-1H-1,2,4-triazol-4-ium-3-yl)methyl]aniline Openeye Name: 2-tert-butyl-N-[(5-methyl-4-phenyl-1H-1,2,4-triazol-4-ium-3-yl)methyl]aniline CAS Name: 2-tert-butyl-N-[(5-methyl-4-phenyl-1H-1,2,4-triazol-4-ium-3-yl)methyl]aniline IUPAC Name: 2-tert-butyl-N-[(5-methyl-4-phenyl-1H-1,2,4-triazol-4-ium-3-yl)methyl]aniline Traditional Name: (2-tert-butylphenyl)-[(5-methyl-4-phenyl-1H-1,2,4-triazol-4-ium-3-yl)methyl]amine Formula: C20H25N4+ MolecularWeight: 321.4393

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=NN1)CNC2=CC=CC=C2C(C)(C)C)C3=CC=CC=C3

Isomeric SMILES

CC1=[N+](C(=NN1)CNC2=CC=CC=C2C(C)(C)C)C3=CC=CC=C3

InChI

InChI=1S/C20H24N4/c1-15-22-23-19(24(15)16-10-6-5-7-11-16)14-21-18-13-9-8-12-17(18)20(2,3)4/h5-13,21H,14H2,1-4H3/p+1