methyl 4-(2-azanyl-3-cyano-5,6-dimethyl-pyridin-1-ium-4-yl)benzoate

Systemtic Name: methyl 4-(2-azanyl-3-cyano-5,6-dimethyl-pyridin-1-ium-4-yl)benzoate Openeye Name: methyl 4-(2-amino-3-cyano-5,6-dimethyl-pyridin-1-ium-4-yl)benzoate CAS Name: 4-(2-amino-3-cyano-5,6-dimethyl-4-pyridin-1-iumyl)benzoic acid methyl ester IUPAC Name: methyl 4-(2-amino-3-cyano-5,6-dimethylpyridin-1-ium-4-yl)benzoate Traditional Name: 4-(2-amino-3-cyano-5,6-dimethyl-pyridin-1-ium-4-yl)benzoic acid methyl ester Formula: C16H16N3O2+ MolecularWeight: 282.31714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C([NH+]=C(C(=C1C2=CC=C(C=C2)C(=O)OC)C#N)N)C

Isomeric SMILES

CC1=C([NH+]=C(C(=C1C2=CC=C(C=C2)C(=O)OC)C#N)N)C

InChI

InChI=1S/C16H15N3O2/c1-9-10(2)19-15(18)13(8-17)14(9)11-4-6-12(7-5-11)16(20)21-3/h4-7H,1-3H3,(H2,18,19)/p+1