1-[1-[(4-tert-butylphenyl)methyl]piperidin-1-ium-4-yl]-5-(trifluoromethyl)benzotriazole

Systemtic Name: 1-[1-[(4-tert-butylphenyl)methyl]piperidin-1-ium-4-yl]-5-(trifluoromethyl)benzotriazole Openeye Name: 1-[1-[(4-tert-butylphenyl)methyl]piperidin-1-ium-4-yl]-5-(trifluoromethyl)benzotriazole CAS Name: 1-[1-[(4-tert-butylphenyl)methyl]-4-piperidin-1-iumyl]-5-(trifluoromethyl)benzotriazole IUPAC Name: 1-[1-[(4-tert-butylphenyl)methyl]piperidin-1-ium-4-yl]-5-(trifluoromethyl)benzotriazole Traditional Name: 1-[1-(4-tert-butylbenzyl)piperidin-1-ium-4-yl]-5-(trifluoromethyl)benzotriazole Formula: C23H28F3N4+ MolecularWeight: 417.49043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27F3N4/c1-22(2,3)17-6-4-16(5-7-17)15-29-12-10-19(11-13-29)30-21-9-8-18(23(24,25)26)14-20(21)27-28-30/h4-9,14,19H,10-13,15H2,1-3H3/p+1