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

Systemtic Name: 4-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methylamino]-3-nitro-benzenecarbonitrile Openeye Name: 4-[(6-morpholinopyridin-1-ium-3-yl)methylamino]-3-nitro-benzonitrile CAS Name: 4-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methylamino]-3-nitrobenzonitrile IUPAC Name: 4-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methylamino]-3-nitrobenzonitrile Traditional Name: 4-[(6-morpholinopyridin-1-ium-3-yl)methylamino]-3-nitro-benzonitrile Formula: C17H18N5O3+ MolecularWeight: 340.35652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=[NH+]C=C(C=C2)CNC3=C(C=C(C=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=[NH+]C=C(C=C2)CNC3=C(C=C(C=C3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C17H17N5O3/c18-10-13-1-3-15(16(9-13)22(23)24)19-11-14-2-4-17(20-12-14)21-5-7-25-8-6-21/h1-4,9,12,19H,5-8,11H2/p+1