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

Systemtic Name: 4-[(6-morpholin-4-ylpyridin-1-ium-3-yl)amino]-3-nitro-benzenecarbonitrile Openeye Name: 4-[(6-morpholinopyridin-1-ium-3-yl)amino]-3-nitro-benzonitrile CAS Name: 4-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]amino]-3-nitrobenzonitrile IUPAC Name: 4-[(6-morpholin-4-ylpyridin-1-ium-3-yl)amino]-3-nitrobenzonitrile Traditional Name: 4-[(6-morpholinopyridin-1-ium-3-yl)amino]-3-nitro-benzonitrile Formula: C16H16N5O3+ MolecularWeight: 326.32994

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=[NH+]C=C(C=C2)NC3=C(C=C(C=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=[NH+]C=C(C=C2)NC3=C(C=C(C=C3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C16H15N5O3/c17-10-12-1-3-14(15(9-12)21(22)23)19-13-2-4-16(18-11-13)20-5-7-24-8-6-20/h1-4,9,11,19H,5-8H2/p+1