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

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-5-morpholin-4-ylsulfonyl-pyridin-1-ium-2-amine Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-5-morpholinosulfonyl-pyridin-1-ium-2-amine CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-5-(4-morpholinylsulfonyl)-2-pyridin-1-iumamine IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine Traditional Name: (5-morpholinosulfonylpyridin-1-ium-2-yl)-veratryl-amine Formula: C18H24N3O5S+ MolecularWeight: 394.46526

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=[NH+]C=C(C=C2)S(=O)(=O)N3CCOCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=[NH+]C=C(C=C2)S(=O)(=O)N3CCOCC3)OC

InChI

InChI=1S/C18H23N3O5S/c1-24-16-5-3-14(11-17(16)25-2)12-19-18-6-4-15(13-20-18)27(22,23)21-7-9-26-10-8-21/h3-6,11,13H,7-10,12H2,1-2H3,(H,19,20)/p+1