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

Systemtic Name: 3-methyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-4-nitro-benzamide Openeye Name: 3-methyl-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-4-nitro-benzamide CAS Name: 3-methyl-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-4-nitrobenzamide IUPAC Name: 3-methyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-4-nitrobenzamide Traditional Name: 3-methyl-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-4-nitro-benzamide Formula: C18H21N4O4+ MolecularWeight: 357.38374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O4/c1-13-10-15(3-4-16(13)22(24)25)18(23)20-12-14-2-5-17(19-11-14)21-6-8-26-9-7-21/h2-5,10-11H,6-9,12H2,1H3,(H,20,23)/p+1