ethyl 4-[2-(3-aminocarbonyl-2,6-dimethyl-pyridin-1-ium-4-yl)hydrazinyl]benzoate chloride

Systemtic Name: ethyl 4-[2-(3-aminocarbonyl-2,6-dimethyl-pyridin-1-ium-4-yl)hydrazinyl]benzoate chloride Openeye Name: ethyl 4-[2-(3-carbamoyl-2,6-dimethyl-pyridin-1-ium-4-yl)hydrazino]benzoate chloride CAS Name: 4-[(3-carbamoyl-2,6-dimethyl-4-pyridin-1-iumyl)hydrazo]benzoic acid ethyl ester chloride IUPAC Name: ethyl 4-[2-(3-carbamoyl-2,6-dimethylpyridin-1-ium-4-yl)hydrazinyl]benzoate chloride Traditional Name: 4-[N'-(3-carbamoyl-2,6-dimethyl-pyridin-1-ium-4-yl)hydrazino]benzoic acid ethyl ester chloride Formula: C17H21ClN4O3 MolecularWeight: 364.82664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NNC2=CC(=[NH+]C(=C2C(=O)N)C)C.[Cl-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NNC2=CC(=[NH+]C(=C2C(=O)N)C)C.[Cl-]

InChI

InChI=1S/C17H20N4O3.ClH/c1-4-24-17(23)12-5-7-13(8-6-12)20-21-14-9-10(2)19-11(3)15(14)16(18)22;/h5-9,20H,4H2,1-3H3,(H2,18,22)(H,19,21);1H