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

Systemtic Name: N-(diphenylmethyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-ium-1-yl]ethanamide Openeye Name: N-benzhydryl-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-ium-1-yl]acetamide CAS Name: N-(diphenylmethyl)-2-[4-[5-(trifluoromethyl)-1-benzotriazolyl]-1-piperidin-1-iumyl]acetamide IUPAC Name: N-benzhydryl-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-ium-1-yl]acetamide Traditional Name: N-benzhydryl-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-ium-1-yl]acetamide Formula: C27H27F3N5O+ MolecularWeight: 494.53139

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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)NC(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CCC1N2C3=C(C=C(C=C3)C(F)(F)F)N=N2)CC(=O)NC(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H26F3N5O/c28-27(29,30)21-11-12-24-23(17-21)32-33-35(24)22-13-15-34(16-14-22)18-25(36)31-26(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-12,17,22,26H,13-16,18H2,(H,31,36)/p+1