2,6-bis(2-methylpropyl)-4-phenyl-1-(1H-1,2,4-triazol-5-yl)pyridin-1-ium perchlorate

Systemtic Name: 2,6-bis(2-methylpropyl)-4-phenyl-1-(1H-1,2,4-triazol-5-yl)pyridin-1-ium perchlorate Openeye Name: 2,6-diisobutyl-4-phenyl-1-(1H-1,2,4-triazol-5-yl)pyridin-1-ium perchlorate CAS Name: 2,6-bis(2-methylpropyl)-4-phenyl-1-(1H-1,2,4-triazol-5-yl)pyridin-1-ium perchlorate IUPAC Name: 2,6-bis(2-methylpropyl)-4-phenyl-1-(1H-1,2,4-triazol-5-yl)pyridin-1-ium perchlorate Traditional Name: 2,6-diisobutyl-4-phenyl-1-(1H-1,2,4-triazol-5-yl)pyridin-1-ium perchlorate Formula: C21H27ClN4O4 MolecularWeight: 434.91648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC(=CC(=[N+]1C2=NC=NN2)CC(C)C)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC(C)CC1=CC(=CC(=[N+]1C2=NC=NN2)CC(C)C)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C21H27N4.ClHO4/c1-15(2)10-19-12-18(17-8-6-5-7-9-17)13-20(11-16(3)4)25(19)21-22-14-23-24-21;2-1(3,4)5/h5-9,12-16H,10-11H2,1-4H3,(H,22,23,24);(H,2,3,4,5)/q+1;/p-1