6-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]pyridin-1-ium-3-sulfonamide

Systemtic Name: 6-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]pyridin-1-ium-3-sulfonamide Openeye Name: 6-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]pyridin-1-ium-3-sulfonamide CAS Name: 6-[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-3-pyridin-1-iumsulfonamide IUPAC Name: 6-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]pyridin-1-ium-3-sulfonamide Traditional Name: 6-[4-(3-fluoro-4-methoxy-benzyl)piperazin-4-ium-1-yl]pyridin-1-ium-3-sulfonamide Formula: C17H23FN4O3S+2 MolecularWeight: 382.452923

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C3=[NH+]C=C(C=C3)S(=O)(=O)N)F

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C3=[NH+]C=C(C=C3)S(=O)(=O)N)F

InChI

InChI=1S/C17H21FN4O3S/c1-25-16-4-2-13(10-15(16)18)12-21-6-8-22(9-7-21)17-5-3-14(11-20-17)26(19,23)24/h2-5,10-11H,6-9,12H2,1H3,(H2,19,23,24)/p+2