N-[3-[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]-2-methyl-benzamide

Systemtic Name: N-[3-[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]-2-methyl-benzamide Openeye Name: N-[3-[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-3-oxo-propyl]-2-methyl-benzamide CAS Name: N-[3-[4-[bis(4-fluorophenyl)methyl]-1-piperazin-4-iumyl]-3-oxopropyl]-2-methylbenzamide IUPAC Name: N-[3-[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-3-oxopropyl]-2-methylbenzamide Traditional Name: N-[3-[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-3-keto-propyl]-2-methyl-benzamide Formula: C28H30F2N3O2+ MolecularWeight: 478.553506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NCCC(=O)N2CC[NH+](CC2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC=CC=C1C(=O)NCCC(=O)N2CC[NH+](CC2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

InChI

InChI=1S/C28H29F2N3O2/c1-20-4-2-3-5-25(20)28(35)31-15-14-26(34)32-16-18-33(19-17-32)27(21-6-10-23(29)11-7-21)22-8-12-24(30)13-9-22/h2-13,27H,14-19H2,1H3,(H,31,35)/p+1