[1-[4-(1,3-benzodioxol-5-yloxy)phenyl]-1-propylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine

Systemtic Name: [1-[4-(1,3-benzodioxol-5-yloxy)phenyl]-1-propylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine Openeye Name: [1-[4-(1,3-benzodioxol-5-yloxy)phenyl]-1-propylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine CAS Name: [1-[4-(1,3-benzodioxol-5-yloxy)phenyl]-1-propylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine IUPAC Name: [1-[4-(1,3-benzodioxol-5-yloxy)phenyl]-1-propylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine Traditional Name: [1-[4-(1,3-benzodioxol-5-yloxy)phenyl]-1-propylsulfonyl-2H-pyridin-1-ium-5-yl]methylamine Formula: C22H25N2O5S+ MolecularWeight: 429.5093

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)[N+]1(CC=CC(=C1)CN)C2=CC=C(C=C2)OC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCS(=O)(=O)[N+]1(CC=CC(=C1)CN)C2=CC=C(C=C2)OC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H25N2O5S/c1-2-12-30(25,26)24(11-3-4-17(14-23)15-24)18-5-7-19(8-6-18)29-20-9-10-21-22(13-20)28-16-27-21/h3-10,13,15H,2,11-12,14,16,23H2,1H3/q+1