4-ethoxy-3-fluoranyl-N-[(1-propan-2-ylpiperidin-1-ium-4-yl)methyl]benzenesulfonamide

Systemtic Name: 4-ethoxy-3-fluoranyl-N-[(1-propan-2-ylpiperidin-1-ium-4-yl)methyl]benzenesulfonamide Openeye Name: 4-ethoxy-3-fluoro-N-[(1-isopropylpiperidin-1-ium-4-yl)methyl]benzenesulfonamide CAS Name: 4-ethoxy-3-fluoro-N-[(1-propan-2-yl-4-piperidin-1-iumyl)methyl]benzenesulfonamide IUPAC Name: 4-ethoxy-3-fluoro-N-[(1-propan-2-ylpiperidin-1-ium-4-yl)methyl]benzenesulfonamide Traditional Name: 4-ethoxy-3-fluoro-N-[(1-isopropylpiperidin-1-ium-4-yl)methyl]benzenesulfonamide Formula: C17H28FN2O3S+ MolecularWeight: 359.479223

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)NCC2CC[NH+](CC2)C(C)C)F

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)NCC2CC[NH+](CC2)C(C)C)F

InChI

InChI=1S/C17H27FN2O3S/c1-4-23-17-6-5-15(11-16(17)18)24(21,22)19-12-14-7-9-20(10-8-14)13(2)3/h5-6,11,13-14,19H,4,7-10,12H2,1-3H3/p+1