[1-[4-(1,3-benzodioxol-5-yloxy)phenyl]-1-ethylsulfonyl-2H-pyridin-1-ium-6-yl]methanamine

Systemtic Name: [1-[4-(1,3-benzodioxol-5-yloxy)phenyl]-1-ethylsulfonyl-2H-pyridin-1-ium-6-yl]methanamine Openeye Name: [1-[4-(1,3-benzodioxol-5-yloxy)phenyl]-1-ethylsulfonyl-2H-pyridin-1-ium-6-yl]methanamine CAS Name: [1-[4-(1,3-benzodioxol-5-yloxy)phenyl]-1-ethylsulfonyl-2H-pyridin-1-ium-6-yl]methanamine IUPAC Name: [1-[4-(1,3-benzodioxol-5-yloxy)phenyl]-1-ethylsulfonyl-2H-pyridin-1-ium-6-yl]methanamine Traditional Name: [1-[4-(1,3-benzodioxol-5-yloxy)phenyl]-1-esyl-2H-pyridin-1-ium-6-yl]methylamine Formula: C21H23N2O5S+ MolecularWeight: 415.48272

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)[N+]1(CC=CC=C1CN)C2=CC=C(C=C2)OC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCS(=O)(=O)[N+]1(CC=CC=C1CN)C2=CC=C(C=C2)OC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H23N2O5S/c1-2-29(24,25)23(12-4-3-5-17(23)14-22)16-6-8-18(9-7-16)28-19-10-11-20-21(13-19)27-15-26-20/h3-11,13H,2,12,14-15,22H2,1H3/q+1