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

Systemtic Name: N-(4-pyrrolidin-1-ylphenyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-ium-1-yl]ethanamide Openeye Name: N-(4-pyrrolidin-1-ylphenyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-ium-1-yl]acetamide CAS Name: N-[4-(1-pyrrolidinyl)phenyl]-2-[4-[5-(trifluoromethyl)-1-benzotriazolyl]-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(4-pyrrolidin-1-ylphenyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-ium-1-yl]acetamide Traditional Name: N-(4-pyrrolidinophenyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-ium-1-yl]acetamide Formula: C24H28F3N6O+ MolecularWeight: 473.51393

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=C(C=C2)NC(=O)C[NH+]3CCC(CC3)N4C5=C(C=C(C=C5)C(F)(F)F)N=N4

Isomeric SMILES

C1CCN(C1)C2=CC=C(C=C2)NC(=O)C[NH+]3CCC(CC3)N4C5=C(C=C(C=C5)C(F)(F)F)N=N4

InChI

InChI=1S/C24H27F3N6O/c25-24(26,27)17-3-8-22-21(15-17)29-30-33(22)20-9-13-31(14-10-20)16-23(34)28-18-4-6-19(7-5-18)32-11-1-2-12-32/h3-8,15,20H,1-2,9-14,16H2,(H,28,34)/p+1