2,5-diethoxy-N-(pyridin-1-ium-2-ylmethyl)benzenesulfonamide

Systemtic Name: 2,5-diethoxy-N-(pyridin-1-ium-2-ylmethyl)benzenesulfonamide Openeye Name: 2,5-diethoxy-N-(pyridin-1-ium-2-ylmethyl)benzenesulfonamide CAS Name: 2,5-diethoxy-N-(2-pyridin-1-iumylmethyl)benzenesulfonamide IUPAC Name: 2,5-diethoxy-N-(pyridin-1-ium-2-ylmethyl)benzenesulfonamide Traditional Name: 2,5-diethoxy-N-(pyridin-1-ium-2-ylmethyl)benzenesulfonamide Formula: C16H21N2O4S+ MolecularWeight: 337.41394

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)OCC)S(=O)(=O)NCC2=CC=CC=[NH+]2

Isomeric SMILES

CCOC1=CC(=C(C=C1)OCC)S(=O)(=O)NCC2=CC=CC=[NH+]2

InChI

InChI=1S/C16H20N2O4S/c1-3-21-14-8-9-15(22-4-2)16(11-14)23(19,20)18-12-13-7-5-6-10-17-13/h5-11,18H,3-4,12H2,1-2H3/p+1