4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-2-(trifluoromethyl)quinolin-1-ium

Systemtic Name: 4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-2-(trifluoromethyl)quinolin-1-ium Openeye Name: 4-[4-(2-thienylsulfonyl)piperazin-1-yl]-2-(trifluoromethyl)quinolin-1-ium CAS Name: 4-(4-thiophen-2-ylsulfonyl-1-piperazinyl)-2-(trifluoromethyl)quinolin-1-ium IUPAC Name: 4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-2-(trifluoromethyl)quinolin-1-ium Traditional Name: 4-[4-(2-thienylsulfonyl)piperazino]-2-(trifluoromethyl)quinolin-1-ium Formula: C18H17F3N3O2S2+ MolecularWeight: 428.47169

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=[NH+]C3=CC=CC=C32)C(F)(F)F)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCN1C2=CC(=[NH+]C3=CC=CC=C32)C(F)(F)F)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C18H16F3N3O2S2/c19-18(20,21)16-12-15(13-4-1-2-5-14(13)22-16)23-7-9-24(10-8-23)28(25,26)17-6-3-11-27-17/h1-6,11-12H,7-10H2/p+1