3,4-dimethoxy-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-5-prop-2-enyl-benzamide

Systemtic Name: 3,4-dimethoxy-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-5-prop-2-enyl-benzamide Openeye Name: 3-allyl-4,5-dimethoxy-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]benzamide CAS Name: 3,4-dimethoxy-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-5-prop-2-enylbenzamide IUPAC Name: 3,4-dimethoxy-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-5-prop-2-enylbenzamide Traditional Name: 3-allyl-4,5-dimethoxy-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]benzamide Formula: C22H28N3O4+ MolecularWeight: 398.47542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O4/c1-4-5-17-12-18(13-19(27-2)21(17)28-3)22(26)24-15-16-6-7-20(23-14-16)25-8-10-29-11-9-25/h4,6-7,12-14H,1,5,8-11,15H2,2-3H3,(H,24,26)/p+1