3-(4-fluorophenyl)sulfonyl-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]propan-1-one

Systemtic Name: 3-(4-fluorophenyl)sulfonyl-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]propan-1-one Openeye Name: 3-(4-fluorophenyl)sulfonyl-1-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]propan-1-one CAS Name: 3-(4-fluorophenyl)sulfonyl-1-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]-1-propanone IUPAC Name: 3-(4-fluorophenyl)sulfonyl-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]propan-1-one Traditional Name: 3-(4-fluorophenyl)sulfonyl-1-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]propan-1-one Formula: C19H23FN3O3S+ MolecularWeight: 392.467623

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)CCS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)CCS(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H22FN3O3S/c20-17-1-3-18(4-2-17)27(25,26)14-7-19(24)23-12-10-22(11-13-23)15-16-5-8-21-9-6-16/h1-6,8-9H,7,10-15H2/p+1