[4-[bis(fluoranyl)methylsulfonyl]phenyl]-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone

Systemtic Name: [4-[bis(fluoranyl)methylsulfonyl]phenyl]-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone Openeye Name: [4-(difluoromethylsulfonyl)phenyl]-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone CAS Name: [4-(difluoromethylsulfonyl)phenyl]-[4-(4-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: [4-(difluoromethylsulfonyl)phenyl]-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone Traditional Name: [4-(difluoromethylsulfonyl)phenyl]-(4-pyridin-1-ium-4-ylpiperazino)methanone Formula: C17H18F2N3O3S+ MolecularWeight: 382.404926

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)C3=CC=C(C=C3)S(=O)(=O)C(F)F

Isomeric SMILES

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)C3=CC=C(C=C3)S(=O)(=O)C(F)F

InChI

InChI=1S/C17H17F2N3O3S/c18-17(19)26(24,25)15-3-1-13(2-4-15)16(23)22-11-9-21(10-12-22)14-5-7-20-8-6-14/h1-8,17H,9-12H2/p+1