(2-fluoranyl-4,5-dimethoxy-phenyl)sulfonyl-[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]azanide

Systemtic Name: (2-fluoranyl-4,5-dimethoxy-phenyl)sulfonyl-[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]azanide Openeye Name: (2-fluoro-4,5-dimethoxy-phenyl)sulfonyl-[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]azanide CAS Name: (2-fluoro-4,5-dimethoxyphenyl)sulfonyl-[2-(1-pyrrolidin-1-iumylmethyl)phenyl]azanide IUPAC Name: (2-fluoro-4,5-dimethoxyphenyl)sulfonyl-[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]azanide Traditional Name: (2-fluoro-4,5-dimethoxy-phenyl)sulfonyl-[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]azanide Formula: C19H23FN2O4S MolecularWeight: 394.460323

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1OC)S(=O)(=O)[N-]C2=CC=CC=C2C[NH+]3CCCC3)F

Isomeric SMILES

COC1=CC(=C(C=C1OC)S(=O)(=O)[N-]C2=CC=CC=C2C[NH+]3CCCC3)F

InChI

InChI=1S/C19H22FN2O4S/c1-25-17-11-15(20)19(12-18(17)26-2)27(23,24)21-16-8-4-3-7-14(16)13-22-9-5-6-10-22/h3-4,7-8,11-12H,5-6,9-10,13H2,1-2H3/q-1/p+1