3,4-dimethoxy-N-[4-(2-piperidin-1-ium-1-ylethoxy)phenyl]benzenesulfonamide

Systemtic Name: 3,4-dimethoxy-N-[4-(2-piperidin-1-ium-1-ylethoxy)phenyl]benzenesulfonamide Openeye Name: 3,4-dimethoxy-N-[4-(2-piperidin-1-ium-1-ylethoxy)phenyl]benzenesulfonamide CAS Name: 3,4-dimethoxy-N-[4-[2-(1-piperidin-1-iumyl)ethoxy]phenyl]benzenesulfonamide IUPAC Name: 3,4-dimethoxy-N-[4-(2-piperidin-1-ium-1-ylethoxy)phenyl]benzenesulfonamide Traditional Name: 3,4-dimethoxy-N-[4-(2-piperidin-1-ium-1-ylethoxy)phenyl]benzenesulfonamide Formula: C21H29N2O5S+ MolecularWeight: 421.53036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)OCC[NH+]3CCCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)OCC[NH+]3CCCCC3)OC

InChI

InChI=1S/C21H28N2O5S/c1-26-20-11-10-19(16-21(20)27-2)29(24,25)22-17-6-8-18(9-7-17)28-15-14-23-12-4-3-5-13-23/h6-11,16,22H,3-5,12-15H2,1-2H3/p+1