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

Systemtic Name: 2-azanyl-4-[(1S)-1-cyano-2-(3-methoxyphenyl)ethyl]-6-morpholin-4-yl-pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-4-[(1S)-1-cyano-2-(3-methoxyphenyl)ethyl]-6-morpholino-pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-4-[(1S)-1-cyano-2-(3-methoxyphenyl)ethyl]-6-(4-morpholinyl)pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-4-[(1S)-1-cyano-2-(3-methoxyphenyl)ethyl]-6-morpholin-4-ylpyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-4-[(1S)-1-cyano-2-(3-methoxyphenyl)ethyl]-6-morpholino-pyridin-1-ium-3,5-dicarbonitrile Formula: C21H21N6O2+ MolecularWeight: 389.43044

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CC(C#N)C2=C(C(=[NH+]C(=C2C#N)N)N3CCOCC3)C#N

Isomeric SMILES

COC1=CC=CC(=C1)C[C@H](C#N)C2=C(C(=[NH+]C(=C2C#N)N)N3CCOCC3)C#N

InChI

InChI=1S/C21H20N6O2/c1-28-16-4-2-3-14(10-16)9-15(11-22)19-17(12-23)20(25)26-21(18(19)13-24)27-5-7-29-8-6-27/h2-4,10,15H,5-9H2,1H3,(H2,25,26)/p+1/t15-/m1/s1