N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-3-(3,4,5-trimethoxyphenyl)propanamide

Systemtic Name: N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-3-(3,4,5-trimethoxyphenyl)propanamide Openeye Name: N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-3-(3,4,5-trimethoxyphenyl)propanamide CAS Name: N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-3-(3,4,5-trimethoxyphenyl)propanamide IUPAC Name: N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-3-(3,4,5-trimethoxyphenyl)propanamide Traditional Name: N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-3-(3,4,5-trimethoxyphenyl)propionamide Formula: C22H30N3O5+ MolecularWeight: 416.4907

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CCC(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CCC(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3

InChI

InChI=1S/C22H29N3O5/c1-27-18-12-16(13-19(28-2)22(18)29-3)5-7-21(26)24-15-17-4-6-20(23-14-17)25-8-10-30-11-9-25/h4,6,12-14H,5,7-11,15H2,1-3H3,(H,24,26)/p+1