2-[2-[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]sulfonylethyl]isoquinolin-1-one

Systemtic Name: 2-[2-[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]sulfonylethyl]isoquinolin-1-one Openeye Name: 2-[2-[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]sulfonylethyl]isoquinolin-1-one CAS Name: 2-[2-[[4-[bis(4-fluorophenyl)methyl]-1-piperazin-4-iumyl]sulfonyl]ethyl]-1-isoquinolinone IUPAC Name: 2-[2-[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]sulfonylethyl]isoquinolin-1-one Traditional Name: 2-[2-[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]sulfonylethyl]isocarbostyril Formula: C28H28F2N3O3S+ MolecularWeight: 524.602026

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)S(=O)(=O)CCN4C=CC5=CC=CC=C5C4=O

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)S(=O)(=O)CCN4C=CC5=CC=CC=C5C4=O

InChI

InChI=1S/C28H27F2N3O3S/c29-24-9-5-22(6-10-24)27(23-7-11-25(30)12-8-23)31-15-17-33(18-16-31)37(35,36)20-19-32-14-13-21-3-1-2-4-26(21)28(32)34/h1-14,27H,15-20H2/p+1