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

Systemtic Name: 2-azanyl-4-[(E)-1-cyano-2-(4-methoxyphenyl)ethenyl]-6-piperidin-1-yl-pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-4-[(E)-1-cyano-2-(4-methoxyphenyl)vinyl]-6-(1-piperidyl)pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-4-[(E)-1-cyano-2-(4-methoxyphenyl)ethenyl]-6-(1-piperidinyl)pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-4-[(E)-1-cyano-2-(4-methoxyphenyl)ethenyl]-6-piperidin-1-ylpyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-4-[(E)-1-cyano-2-(4-methoxyphenyl)vinyl]-6-piperidino-pyridin-1-ium-3,5-dicarbonitrile Formula: C22H21N6O+ MolecularWeight: 385.44174

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=C(C#N)C2=C(C(=[NH+]C(=C2C#N)N)N3CCCCC3)C#N

Isomeric SMILES

COC1=CC=C(C=C1)/C=C(/C#N)\C2=C(C(=[NH+]C(=C2C#N)N)N3CCCCC3)C#N

InChI

InChI=1S/C22H20N6O/c1-29-17-7-5-15(6-8-17)11-16(12-23)20-18(13-24)21(26)27-22(19(20)14-25)28-9-3-2-4-10-28/h5-8,11H,2-4,9-10H2,1H3,(H2,26,27)/p+1/b16-11-