3-(4-fluoranylphenoxy)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]propane-1-sulfonamide

Systemtic Name: 3-(4-fluoranylphenoxy)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]propane-1-sulfonamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-(4-fluorophenoxy)propane-1-sulfonamide CAS Name: 3-(4-fluorophenoxy)-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-1-propanesulfonamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-(4-fluorophenoxy)propane-1-sulfonamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-(4-fluorophenoxy)propane-1-sulfonamide Formula: C21H28FN2O3S+ MolecularWeight: 407.522023

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NS(=O)(=O)CCCOC2=CC=C(C=C2)F)CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC1NS(=O)(=O)CCCOC2=CC=C(C=C2)F)CC3=CC=CC=C3

InChI

InChI=1S/C21H27FN2O3S/c22-19-7-9-21(10-8-19)27-15-4-16-28(25,26)23-20-11-13-24(14-12-20)17-18-5-2-1-3-6-18/h1-3,5-10,20,23H,4,11-17H2/p+1