methyl 2-methoxy-5-[[(5-morpholin-4-ylsulfonylpyridin-1-ium-2-yl)amino]methyl]benzoate

Systemtic Name: methyl 2-methoxy-5-[[(5-morpholin-4-ylsulfonylpyridin-1-ium-2-yl)amino]methyl]benzoate Openeye Name: methyl 2-methoxy-5-[[(5-morpholinosulfonylpyridin-1-ium-2-yl)amino]methyl]benzoate CAS Name: 2-methoxy-5-[[[5-(4-morpholinylsulfonyl)-2-pyridin-1-iumyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-methoxy-5-[[(5-morpholin-4-ylsulfonylpyridin-1-ium-2-yl)amino]methyl]benzoate Traditional Name: 2-methoxy-5-[[(5-morpholinosulfonylpyridin-1-ium-2-yl)amino]methyl]benzoic acid methyl ester Formula: C19H24N3O6S+ MolecularWeight: 422.47536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O6S/c1-26-17-5-3-14(11-16(17)19(23)27-2)12-20-18-6-4-15(13-21-18)29(24,25)22-7-9-28-10-8-22/h3-6,11,13H,7-10,12H2,1-2H3,(H,20,21)/p+1