6-chloranyl-4-[4-(4-fluorophenyl)piperazin-1-yl]-3-(4-fluorophenyl)sulfonyl-quinolin-1-ium

Systemtic Name: 6-chloranyl-4-[4-(4-fluorophenyl)piperazin-1-yl]-3-(4-fluorophenyl)sulfonyl-quinolin-1-ium Openeye Name: 6-chloro-4-[4-(4-fluorophenyl)piperazin-1-yl]-3-(4-fluorophenyl)sulfonyl-quinolin-1-ium CAS Name: 6-chloro-4-[4-(4-fluorophenyl)-1-piperazinyl]-3-(4-fluorophenyl)sulfonylquinolin-1-ium IUPAC Name: 6-chloro-4-[4-(4-fluorophenyl)piperazin-1-yl]-3-(4-fluorophenyl)sulfonylquinolin-1-ium Traditional Name: 6-chloro-4-[4-(4-fluorophenyl)piperazino]-3-(4-fluorophenyl)sulfonyl-quinolin-1-ium Formula: C25H21ClF2N3O2S+ MolecularWeight: 500.967946

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)F)C3=C4C=C(C=CC4=[NH+]C=C3S(=O)(=O)C5=CC=C(C=C5)F)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)F)C3=C4C=C(C=CC4=[NH+]C=C3S(=O)(=O)C5=CC=C(C=C5)F)Cl

InChI

InChI=1S/C25H20ClF2N3O2S/c26-17-1-10-23-22(15-17)25(24(16-29-23)34(32,33)21-8-4-19(28)5-9-21)31-13-11-30(12-14-31)20-6-2-18(27)3-7-20/h1-10,15-16H,11-14H2/p+1