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

Systemtic Name: 2-tert-butyl-N-[(3-methoxy-4-phenyl-1H-1,2,4-triazol-4-ium-5-yl)methyl]aniline Openeye Name: 2-tert-butyl-N-[(3-methoxy-4-phenyl-1H-1,2,4-triazol-4-ium-5-yl)methyl]aniline CAS Name: 2-tert-butyl-N-[(3-methoxy-4-phenyl-1H-1,2,4-triazol-4-ium-5-yl)methyl]aniline IUPAC Name: 2-tert-butyl-N-[(3-methoxy-4-phenyl-1H-1,2,4-triazol-4-ium-5-yl)methyl]aniline Traditional Name: (2-tert-butylphenyl)-[(3-methoxy-4-phenyl-1H-1,2,4-triazol-4-ium-5-yl)methyl]amine Formula: C20H25N4O+ MolecularWeight: 337.4387

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1NCC2=[N+](C(=NN2)OC)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1NCC2=[N+](C(=NN2)OC)C3=CC=CC=C3

InChI

InChI=1S/C20H24N4O/c1-20(2,3)16-12-8-9-13-17(16)21-14-18-22-23-19(25-4)24(18)15-10-6-5-7-11-15/h5-13,21H,14H2,1-4H3/p+1