2-azanyl-4-[(Z)-1-cyano-2-(3-nitrophenyl)ethenyl]-6-piperidin-1-yl-pyridin-1-ium-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-4-[(Z)-1-cyano-2-(3-nitrophenyl)ethenyl]-6-piperidin-1-yl-pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-4-[(Z)-1-cyano-2-(3-nitrophenyl)vinyl]-6-(1-piperidyl)pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-4-[(Z)-1-cyano-2-(3-nitrophenyl)ethenyl]-6-(1-piperidinyl)pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-4-[(Z)-1-cyano-2-(3-nitrophenyl)ethenyl]-6-piperidin-1-ylpyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-4-[(Z)-1-cyano-2-(3-nitrophenyl)vinyl]-6-piperidino-pyridin-1-ium-3,5-dicarbonitrile Formula: C21H18N7O2+ MolecularWeight: 400.41332

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=[NH+]C(=C(C(=C2C#N)C(=CC3=CC(=CC=C3)[N+](=O)[O-])C#N)C#N)N

Isomeric SMILES

C1CCN(CC1)C2=[NH+]C(=C(C(=C2C#N)/C(=C/C3=CC(=CC=C3)[N+](=O)[O-])/C#N)C#N)N

InChI

InChI=1S/C21H17N7O2/c22-11-15(9-14-5-4-6-16(10-14)28(29)30)19-17(12-23)20(25)26-21(18(19)13-24)27-7-2-1-3-8-27/h4-6,9-10H,1-3,7-8H2,(H2,25,26)/p+1/b15-9+