3-chloranyl-5-methoxy-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-4-propan-2-yloxy-benzamide

Systemtic Name: 3-chloranyl-5-methoxy-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-4-propan-2-yloxy-benzamide Openeye Name: 3-chloro-4-isopropoxy-5-methoxy-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]benzamide CAS Name: 3-chloro-5-methoxy-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-4-propan-2-yloxybenzamide IUPAC Name: 3-chloro-5-methoxy-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-4-propan-2-yloxybenzamide Traditional Name: 3-chloro-4-isopropoxy-5-methoxy-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]benzamide Formula: C21H27ClN3O4+ MolecularWeight: 420.90978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1Cl)C(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3)OC

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1Cl)C(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3)OC

InChI

InChI=1S/C21H26ClN3O4/c1-14(2)29-20-17(22)10-16(11-18(20)27-3)21(26)24-13-15-4-5-19(23-12-15)25-6-8-28-9-7-25/h4-5,10-12,14H,6-9,13H2,1-3H3,(H,24,26)/p+1