3-(4-fluorophenyl)sulfonyl-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-(4-fluorophenyl)sulfonyl-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-(4-fluorophenyl)sulfonyl-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propan-1-one CAS Name: 3-(4-fluorophenyl)sulfonyl-1-[4-(4-pyridin-1-iumyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(4-fluorophenyl)sulfonyl-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-(4-fluorophenyl)sulfonyl-1-(4-pyridin-1-ium-4-ylpiperazino)propan-1-one Formula: C18H21FN3O3S+ MolecularWeight: 378.441043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20FN3O3S/c19-15-1-3-17(4-2-15)26(24,25)14-7-18(23)22-12-10-21(11-13-22)16-5-8-20-9-6-16/h1-6,8-9H,7,10-14H2/p+1