[1-cyclopropylsulfonyl-1-[4-(2,6-dimethoxyphenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine

Systemtic Name: [1-cyclopropylsulfonyl-1-[4-(2,6-dimethoxyphenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine Openeye Name: [1-cyclopropylsulfonyl-1-[4-(2,6-dimethoxyphenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine CAS Name: [1-cyclopropylsulfonyl-1-[4-(2,6-dimethoxyphenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine IUPAC Name: [1-cyclopropylsulfonyl-1-[4-(2,6-dimethoxyphenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine Traditional Name: [1-cyclopropylsulfonyl-1-[4-(2,6-dimethoxyphenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methylamine Formula: C23H27N2O5S+ MolecularWeight: 443.53588

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)OC2=CC=C(C=C2)[N+]3(CC=CC(=C3)CN)S(=O)(=O)C4CC4

Isomeric SMILES

COC1=C(C(=CC=C1)OC)OC2=CC=C(C=C2)[N+]3(CC=CC(=C3)CN)S(=O)(=O)C4CC4

InChI

InChI=1S/C23H27N2O5S/c1-28-21-6-3-7-22(29-2)23(21)30-19-10-8-18(9-11-19)25(31(26,27)20-12-13-20)14-4-5-17(15-24)16-25/h3-11,16,20H,12-15,24H2,1-2H3/q+1