[(2R)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-pyridin-3-yl-ethyl]-methylsulfonyl-azanide

Systemtic Name: [(2R)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-pyridin-3-yl-ethyl]-methylsulfonyl-azanide Openeye Name: [(2R)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-(3-pyridyl)ethyl]-methylsulfonyl-azanide CAS Name: [(2R)-2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-2-(3-pyridinyl)ethyl]-methylsulfonylazanide IUPAC Name: [(2R)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-pyridin-3-ylethyl]-methylsulfonylazanide Traditional Name: [(2R)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-(3-pyridyl)ethyl]-mesyl-azanide Formula: C18H23FN4O2S MolecularWeight: 378.464223

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)[N-]CC(C1=CN=CC=C1)[NH+]2CCN(CC2)C3=CC=C(C=C3)F

Isomeric SMILES

CS(=O)(=O)[N-]C[C@@H](C1=CN=CC=C1)[NH+]2CCN(CC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H22FN4O2S/c1-26(24,25)21-14-18(15-3-2-8-20-13-15)23-11-9-22(10-12-23)17-6-4-16(19)5-7-17/h2-8,13,18H,9-12,14H2,1H3/q-1/p+1/t18-/m0/s1