6-[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-N-cyclopropyl-pyridin-1-ium-3-carboxamide

Systemtic Name: 6-[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-N-cyclopropyl-pyridin-1-ium-3-carboxamide Openeye Name: 6-[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-N-cyclopropyl-pyridin-1-ium-3-carboxamide CAS Name: 6-[4-[bis(4-fluorophenyl)methyl]-1-piperazin-4-iumyl]-N-cyclopropyl-3-pyridin-1-iumcarboxamide IUPAC Name: 6-[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-N-cyclopropylpyridin-1-ium-3-carboxamide Traditional Name: 6-[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-N-cyclopropyl-pyridin-1-ium-3-carboxamide Formula: C26H28F2N4O+2 MolecularWeight: 450.523526

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=C[NH+]=C(C=C2)N3CC[NH+](CC3)C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F

Isomeric SMILES

C1CC1NC(=O)C2=C[NH+]=C(C=C2)N3CC[NH+](CC3)C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F

InChI

InChI=1S/C26H26F2N4O/c27-21-6-1-18(2-7-21)25(19-3-8-22(28)9-4-19)32-15-13-31(14-16-32)24-12-5-20(17-29-24)26(33)30-23-10-11-23/h1-9,12,17,23,25H,10-11,13-16H2,(H,30,33)/p+2