(4-fluoranyl-3-piperidin-1-ylsulfonyl-phenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: (4-fluoranyl-3-piperidin-1-ylsulfonyl-phenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: [4-fluoro-3-(1-piperidylsulfonyl)phenyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: [4-fluoro-3-(1-piperidinylsulfonyl)phenyl]-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (4-fluoro-3-piperidin-1-ylsulfonylphenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: (4-fluoro-3-piperidinosulfonyl-phenyl)-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C21H26FN4O3S+ MolecularWeight: 433.519543

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)F

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)F

InChI

InChI=1S/C21H25FN4O3S/c22-18-8-7-17(16-19(18)30(28,29)26-10-4-1-5-11-26)21(27)25-14-12-24(13-15-25)20-6-2-3-9-23-20/h2-3,6-9,16H,1,4-5,10-15H2/p+1