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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-morpholin-4-ylsulfonyl-pyridin-1-ium-2-amine Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-morpholinosulfonyl-pyridin-1-ium-2-amine CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(4-morpholinylsulfonyl)-2-pyridin-1-iumamine IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine Traditional Name: homoveratryl-(5-morpholinosulfonylpyridin-1-ium-2-yl)amine Formula: C19H26N3O5S+ MolecularWeight: 408.49184

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=[NH+]C=C(C=C2)S(=O)(=O)N3CCOCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=[NH+]C=C(C=C2)S(=O)(=O)N3CCOCC3)OC

InChI

InChI=1S/C19H25N3O5S/c1-25-17-5-3-15(13-18(17)26-2)7-8-20-19-6-4-16(14-21-19)28(23,24)22-9-11-27-12-10-22/h3-6,13-14H,7-12H2,1-2H3,(H,20,21)/p+1