2-azanyl-4-(3-ethoxy-4-oxidanyl-phenyl)-5,6-dimethyl-pyridin-1-ium-3-carbonitrile

Systemtic Name: 2-azanyl-4-(3-ethoxy-4-oxidanyl-phenyl)-5,6-dimethyl-pyridin-1-ium-3-carbonitrile Openeye Name: 2-amino-4-(3-ethoxy-4-hydroxy-phenyl)-5,6-dimethyl-pyridin-1-ium-3-carbonitrile CAS Name: 2-amino-4-(3-ethoxy-4-hydroxyphenyl)-5,6-dimethyl-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-amino-4-(3-ethoxy-4-hydroxyphenyl)-5,6-dimethylpyridin-1-ium-3-carbonitrile Traditional Name: 2-amino-4-(3-ethoxy-4-hydroxy-phenyl)-5,6-dimethyl-pyridin-1-ium-3-carbonitrile Formula: C16H18N3O2+ MolecularWeight: 284.33302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O2/c1-4-21-14-7-11(5-6-13(14)20)15-9(2)10(3)19-16(18)12(15)8-17/h5-7,20H,4H2,1-3H3,(H2,18,19)/p+1