N-phenethyl-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-phenethyl-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-ium-1-yl]ethanamide Openeye Name: N-phenethyl-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-ium-1-yl]acetamide CAS Name: N-phenethyl-2-[4-[5-(trifluoromethyl)-1-benzotriazolyl]-1-piperidin-1-iumyl]acetamide IUPAC Name: N-phenethyl-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-ium-1-yl]acetamide Traditional Name: N-phenethyl-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-ium-1-yl]acetamide Formula: C22H25F3N5O+ MolecularWeight: 432.46201

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C3=C(C=C(C=C3)C(F)(F)F)N=N2)CC(=O)NCCC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1N2C3=C(C=C(C=C3)C(F)(F)F)N=N2)CC(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C22H24F3N5O/c23-22(24,25)17-6-7-20-19(14-17)27-28-30(20)18-9-12-29(13-10-18)15-21(31)26-11-8-16-4-2-1-3-5-16/h1-7,14,18H,8-13,15H2,(H,26,31)/p+1