ethyl 3-[(2,6-dimethylquinolin-1-ium-4-yl)amino]benzoate chloride

Systemtic Name: ethyl 3-[(2,6-dimethylquinolin-1-ium-4-yl)amino]benzoate chloride Openeye Name: ethyl 3-[(2,6-dimethylquinolin-1-ium-4-yl)amino]benzoate chloride CAS Name: 3-[(2,6-dimethyl-4-quinolin-1-iumyl)amino]benzoic acid ethyl ester chloride IUPAC Name: ethyl 3-[(2,6-dimethylquinolin-1-ium-4-yl)amino]benzoate chloride Traditional Name: 3-[(2,6-dimethylquinolin-1-ium-4-yl)amino]benzoic acid ethyl ester chloride Formula: C20H21ClN2O2 MolecularWeight: 356.84594

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC2=CC(=[NH+]C3=C2C=C(C=C3)C)C.[Cl-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC2=CC(=[NH+]C3=C2C=C(C=C3)C)C.[Cl-]

InChI

InChI=1S/C20H20N2O2.ClH/c1-4-24-20(23)15-6-5-7-16(12-15)22-19-11-14(3)21-18-9-8-13(2)10-17(18)19;/h5-12H,4H2,1-3H3,(H,21,22);1H