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

Systemtic Name: N-(phenylmethyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-ium-1-yl]ethanamide Openeye Name: N-benzyl-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-ium-1-yl]acetamide CAS Name: N-(phenylmethyl)-2-[4-[5-(trifluoromethyl)-1-benzotriazolyl]-1-piperidin-1-iumyl]acetamide IUPAC Name: N-benzyl-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-ium-1-yl]acetamide Traditional Name: N-benzyl-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-ium-1-yl]acetamide Formula: C21H23F3N5O+ MolecularWeight: 418.43543

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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)NCC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1N2C3=C(C=C(C=C3)C(F)(F)F)N=N2)CC(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C21H22F3N5O/c22-21(23,24)16-6-7-19-18(12-16)26-27-29(19)17-8-10-28(11-9-17)14-20(30)25-13-15-4-2-1-3-5-15/h1-7,12,17H,8-11,13-14H2,(H,25,30)/p+1