2-[(4-fluorophenyl)sulfonyl-methyl-amino]-N-(1-propylpiperidin-1-ium-4-yl)ethanamide

Systemtic Name: 2-[(4-fluorophenyl)sulfonyl-methyl-amino]-N-(1-propylpiperidin-1-ium-4-yl)ethanamide Openeye Name: 2-[(4-fluorophenyl)sulfonyl-methyl-amino]-N-(1-propylpiperidin-1-ium-4-yl)acetamide CAS Name: 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(1-propyl-4-piperidin-1-iumyl)acetamide IUPAC Name: 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(1-propylpiperidin-1-ium-4-yl)acetamide Traditional Name: 2-[(4-fluorophenyl)sulfonyl-methyl-amino]-N-(1-propylpiperidin-1-ium-4-yl)acetamide Formula: C17H27FN3O3S+ MolecularWeight: 372.477983

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(CC1)NC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CCC[NH+]1CCC(CC1)NC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C17H26FN3O3S/c1-3-10-21-11-8-15(9-12-21)19-17(22)13-20(2)25(23,24)16-6-4-14(18)5-7-16/h4-7,15H,3,8-13H2,1-2H3,(H,19,22)/p+1