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

Systemtic Name: 2-azanyl-4-[(1S)-1-cyano-2-(4-methylphenyl)ethyl]-6-morpholin-4-yl-pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-4-[(1S)-1-cyano-2-(p-tolyl)ethyl]-6-morpholino-pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-4-[(1S)-1-cyano-2-(4-methylphenyl)ethyl]-6-(4-morpholinyl)pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-4-[(1S)-1-cyano-2-(4-methylphenyl)ethyl]-6-morpholin-4-ylpyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-4-[(1S)-1-cyano-2-(p-tolyl)ethyl]-6-morpholino-pyridin-1-ium-3,5-dicarbonitrile Formula: C21H21N6O+ MolecularWeight: 373.43104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC(C#N)C2=C(C(=[NH+]C(=C2C#N)N)N3CCOCC3)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C[C@H](C#N)C2=C(C(=[NH+]C(=C2C#N)N)N3CCOCC3)C#N

InChI

InChI=1S/C21H20N6O/c1-14-2-4-15(5-3-14)10-16(11-22)19-17(12-23)20(25)26-21(18(19)13-24)27-6-8-28-9-7-27/h2-5,16H,6-10H2,1H3,(H2,25,26)/p+1/t16-/m1/s1