N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-5-morpholin-4-ylsulfonyl-pyridin-1-ium-2-amine

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-5-morpholin-4-ylsulfonyl-pyridin-1-ium-2-amine Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-5-morpholinosulfonyl-pyridin-1-ium-2-amine CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-5-(4-morpholinylsulfonyl)-2-pyridin-1-iumamine IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine Traditional Name: homoveratryl-methyl-(5-morpholinosulfonylpyridin-1-ium-2-yl)amine Formula: C20H28N3O5S+ MolecularWeight: 422.51842

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=C(C=C1)OC)OC)C2=[NH+]C=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CN(CCC1=CC(=C(C=C1)OC)OC)C2=[NH+]C=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C20H27N3O5S/c1-22(9-8-16-4-6-18(26-2)19(14-16)27-3)20-7-5-17(15-21-20)29(24,25)23-10-12-28-13-11-23/h4-7,14-15H,8-13H2,1-3H3/p+1