1-[1-[(2,5-dimethylphenyl)methyl]piperidin-1-ium-4-yl]-5-(trifluoromethyl)benzotriazole

Systemtic Name: 1-[1-[(2,5-dimethylphenyl)methyl]piperidin-1-ium-4-yl]-5-(trifluoromethyl)benzotriazole Openeye Name: 1-[1-[(2,5-dimethylphenyl)methyl]piperidin-1-ium-4-yl]-5-(trifluoromethyl)benzotriazole CAS Name: 1-[1-[(2,5-dimethylphenyl)methyl]-4-piperidin-1-iumyl]-5-(trifluoromethyl)benzotriazole IUPAC Name: 1-[1-[(2,5-dimethylphenyl)methyl]piperidin-1-ium-4-yl]-5-(trifluoromethyl)benzotriazole Traditional Name: 1-[1-(2,5-dimethylbenzyl)piperidin-1-ium-4-yl]-5-(trifluoromethyl)benzotriazole Formula: C21H24F3N4+ MolecularWeight: 389.43727

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C[NH+]2CCC(CC2)N3C4=C(C=C(C=C4)C(F)(F)F)N=N3

Isomeric SMILES

CC1=CC(=C(C=C1)C)C[NH+]2CCC(CC2)N3C4=C(C=C(C=C4)C(F)(F)F)N=N3

InChI

InChI=1S/C21H23F3N4/c1-14-3-4-15(2)16(11-14)13-27-9-7-18(8-10-27)28-20-6-5-17(21(22,23)24)12-19(20)25-26-28/h3-6,11-12,18H,7-10,13H2,1-2H3/p+1