3,5-dimethyl-1-[(4-phenoxyphenyl)methyl]-1,2,4-triazol-4-ium-4-amine

Systemtic Name: 3,5-dimethyl-1-[(4-phenoxyphenyl)methyl]-1,2,4-triazol-4-ium-4-amine Openeye Name: 3,5-dimethyl-1-[(4-phenoxyphenyl)methyl]-1,2,4-triazol-4-ium-4-amine CAS Name: 3,5-dimethyl-1-[(4-phenoxyphenyl)methyl]-1,2,4-triazol-4-ium-4-amine IUPAC Name: 3,5-dimethyl-1-[(4-phenoxyphenyl)methyl]-1,2,4-triazol-4-ium-4-amine Traditional Name: [3,5-dimethyl-1-(4-phenoxybenzyl)-1,2,4-triazol-4-ium-4-yl]amine Formula: C17H19N4O+ MolecularWeight: 295.35896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=[N+]1N)C)CC2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=[N+]1N)C)CC2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C17H19N4O/c1-13-19-20(14(2)21(13)18)12-15-8-10-17(11-9-15)22-16-6-4-3-5-7-16/h3-11H,12,18H2,1-2H3/q+1