3,5-bis(chloranyl)-4-methoxy-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]benzamide

Systemtic Name: 3,5-bis(chloranyl)-4-methoxy-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]benzamide Openeye Name: 3,5-dichloro-4-methoxy-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]benzamide CAS Name: 3,5-dichloro-4-methoxy-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]benzamide IUPAC Name: 3,5-dichloro-4-methoxy-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]benzamide Traditional Name: 3,5-dichloro-4-methoxy-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]benzamide Formula: C18H20Cl2N3O3+ MolecularWeight: 397.2757

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1Cl)C(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1Cl)C(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3)Cl

InChI

InChI=1S/C18H19Cl2N3O3/c1-25-17-14(19)8-13(9-15(17)20)18(24)22-11-12-2-3-16(21-10-12)23-4-6-26-7-5-23/h2-3,8-10H,4-7,11H2,1H3,(H,22,24)/p+1