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

Systemtic Name: 1-[1-[(4-nitrophenyl)methyl]piperidin-1-ium-4-yl]-5-(trifluoromethyl)benzotriazole Openeye Name: 1-[1-[(4-nitrophenyl)methyl]piperidin-1-ium-4-yl]-5-(trifluoromethyl)benzotriazole CAS Name: 1-[1-[(4-nitrophenyl)methyl]-4-piperidin-1-iumyl]-5-(trifluoromethyl)benzotriazole IUPAC Name: 1-[1-[(4-nitrophenyl)methyl]piperidin-1-ium-4-yl]-5-(trifluoromethyl)benzotriazole Traditional Name: 1-[1-(4-nitrobenzyl)piperidin-1-ium-4-yl]-5-(trifluoromethyl)benzotriazole Formula: C19H19F3N5O2+ MolecularWeight: 406.38167

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C3=C(C=C(C=C3)C(F)(F)F)N=N2)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1C[NH+](CCC1N2C3=C(C=C(C=C3)C(F)(F)F)N=N2)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H18F3N5O2/c20-19(21,22)14-3-6-18-17(11-14)23-24-26(18)15-7-9-25(10-8-15)12-13-1-4-16(5-2-13)27(28)29/h1-6,11,15H,7-10,12H2/p+1