N-[4-[6-azanyl-5-cyano-4-(3,4-dimethoxyphenyl)pyridin-1-ium-2-yl]phenyl]ethanamide

Systemtic Name: N-[4-[6-azanyl-5-cyano-4-(3,4-dimethoxyphenyl)pyridin-1-ium-2-yl]phenyl]ethanamide Openeye Name: N-[4-[6-amino-5-cyano-4-(3,4-dimethoxyphenyl)pyridin-1-ium-2-yl]phenyl]acetamide CAS Name: N-[4-[6-amino-5-cyano-4-(3,4-dimethoxyphenyl)-2-pyridin-1-iumyl]phenyl]acetamide IUPAC Name: N-[4-[6-amino-5-cyano-4-(3,4-dimethoxyphenyl)pyridin-1-ium-2-yl]phenyl]acetamide Traditional Name: N-[4-[6-amino-5-cyano-4-(3,4-dimethoxyphenyl)pyridin-1-ium-2-yl]phenyl]acetamide Formula: C22H21N4O3+ MolecularWeight: 389.42714

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C2=[NH+]C(=C(C(=C2)C3=CC(=C(C=C3)OC)OC)C#N)N

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C2=[NH+]C(=C(C(=C2)C3=CC(=C(C=C3)OC)OC)C#N)N

InChI

InChI=1S/C22H20N4O3/c1-13(27)25-16-7-4-14(5-8-16)19-11-17(18(12-23)22(24)26-19)15-6-9-20(28-2)21(10-15)29-3/h4-11H,1-3H3,(H2,24,26)(H,25,27)/p+1