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

Systemtic Name: [1-[4-(1,3-benzodioxol-5-yloxy)phenyl]-1-methylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine Openeye Name: [1-[4-(1,3-benzodioxol-5-yloxy)phenyl]-1-methylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine CAS Name: [1-[4-(1,3-benzodioxol-5-yloxy)phenyl]-1-methylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine IUPAC Name: [1-[4-(1,3-benzodioxol-5-yloxy)phenyl]-1-methylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine Traditional Name: [1-[4-(1,3-benzodioxol-5-yloxy)phenyl]-1-mesyl-2H-pyridin-1-ium-5-yl]methylamine Formula: C20H21N2O5S+ MolecularWeight: 401.45614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N2O5S/c1-28(23,24)22(10-2-3-15(12-21)13-22)16-4-6-17(7-5-16)27-18-8-9-19-20(11-18)26-14-25-19/h2-9,11,13H,10,12,14,21H2,1H3/q+1