3-(ethylsulfonylamino)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]benzamide

Systemtic Name: 3-(ethylsulfonylamino)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]benzamide Openeye Name: 3-(ethylsulfonylamino)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]benzamide CAS Name: 3-(ethylsulfonylamino)-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]benzamide IUPAC Name: 3-(ethylsulfonylamino)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]benzamide Traditional Name: 3-(esylamino)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]benzamide Formula: C19H25N4O4S+ MolecularWeight: 405.4912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)NC1=CC=CC(=C1)C(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3

Isomeric SMILES

CCS(=O)(=O)NC1=CC=CC(=C1)C(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3

InChI

InChI=1S/C19H24N4O4S/c1-2-28(25,26)22-17-5-3-4-16(12-17)19(24)21-14-15-6-7-18(20-13-15)23-8-10-27-11-9-23/h3-7,12-13,22H,2,8-11,14H2,1H3,(H,21,24)/p+1