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

Systemtic Name: 2-azanyl-4-[(1S)-1-cyano-2-(4-methylphenyl)ethyl]-6-(diethylamino)pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-4-[(1S)-1-cyano-2-(p-tolyl)ethyl]-6-(diethylamino)pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-4-[(1S)-1-cyano-2-(4-methylphenyl)ethyl]-6-(diethylamino)pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-4-[(1S)-1-cyano-2-(4-methylphenyl)ethyl]-6-(diethylamino)pyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-4-[(1S)-1-cyano-2-(p-tolyl)ethyl]-6-(diethylamino)pyridin-1-ium-3,5-dicarbonitrile Formula: C21H23N6+ MolecularWeight: 359.44752

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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=C(C=C2)C)C#N)C#N

Isomeric SMILES

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

InChI

InChI=1S/C21H22N6/c1-4-27(5-2)21-18(13-24)19(17(12-23)20(25)26-21)16(11-22)10-15-8-6-14(3)7-9-15/h6-9,16H,4-5,10H2,1-3H3,(H2,25,26)/p+1/t16-/m1/s1