1-[4-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methylamino]-3-nitro-phenyl]ethanone

Systemtic Name: 1-[4-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methylamino]-3-nitro-phenyl]ethanone Openeye Name: 1-[4-[(6-morpholinopyridin-1-ium-3-yl)methylamino]-3-nitro-phenyl]ethanone CAS Name: 1-[4-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methylamino]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methylamino]-3-nitrophenyl]ethanone Traditional Name: 1-[4-[(6-morpholinopyridin-1-ium-3-yl)methylamino]-3-nitro-phenyl]ethanone Formula: C18H21N4O4+ MolecularWeight: 357.38374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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