2-azanyl-4-[(1S)-1-cyano-2-phenyl-ethyl]-6-(diethylamino)pyridin-1-ium-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-4-[(1S)-1-cyano-2-phenyl-ethyl]-6-(diethylamino)pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-4-[(1S)-1-cyano-2-phenyl-ethyl]-6-(diethylamino)pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-4-[(1S)-1-cyano-2-phenylethyl]-6-(diethylamino)pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-4-[(1S)-1-cyano-2-phenylethyl]-6-(diethylamino)pyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-4-[(1S)-1-cyano-2-phenyl-ethyl]-6-(diethylamino)pyridin-1-ium-3,5-dicarbonitrile Formula: C20H21N6+ MolecularWeight: 345.42094

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C(=C(C(=[NH+]1)N)C#N)C(CC2=CC=CC=C2)C#N)C#N

Isomeric SMILES

CCN(CC)C1=C(C(=C(C(=[NH+]1)N)C#N)[C@H](CC2=CC=CC=C2)C#N)C#N

InChI

InChI=1S/C20H20N6/c1-3-26(4-2)20-17(13-23)18(16(12-22)19(24)25-20)15(11-21)10-14-8-6-5-7-9-14/h5-9,15H,3-4,10H2,1-2H3,(H2,24,25)/p+1/t15-/m1/s1