1-ethyl-3,5-bis(4-methylphenyl)-4-propyl-1,2,4-triazol-4-ium

Systemtic Name: 1-ethyl-3,5-bis(4-methylphenyl)-4-propyl-1,2,4-triazol-4-ium Openeye Name: 1-ethyl-4-propyl-3,5-bis(p-tolyl)-1,2,4-triazol-4-ium CAS Name: 1-ethyl-3,5-bis(4-methylphenyl)-4-propyl-1,2,4-triazol-4-ium IUPAC Name: 1-ethyl-3,5-bis(4-methylphenyl)-4-propyl-1,2,4-triazol-4-ium Traditional Name: 1-ethyl-4-propyl-3,5-bis(p-tolyl)-1,2,4-triazol-4-ium Formula: C21H26N3+ MolecularWeight: 320.45124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=C(N(N=C1C2=CC=C(C=C2)C)CC)C3=CC=C(C=C3)C

Isomeric SMILES

CCC[N+]1=C(N(N=C1C2=CC=C(C=C2)C)CC)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H26N3/c1-5-15-23-20(18-11-7-16(3)8-12-18)22-24(6-2)21(23)19-13-9-17(4)10-14-19/h7-14H,5-6,15H2,1-4H3/q+1