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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2=CC(=[NH+]C(=C2C#N)N)C3=CC=C(C=C3)NC(=O)C)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2=CC(=[NH+]C(=C2C#N)N)C3=CC=C(C=C3)NC(=O)C)O

InChI

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