methyl 3-[(2,6,8-trimethylquinolin-1-ium-4-yl)amino]benzoate chloride

Systemtic Name: methyl 3-[(2,6,8-trimethylquinolin-1-ium-4-yl)amino]benzoate chloride Openeye Name: methyl 3-[(2,6,8-trimethylquinolin-1-ium-4-yl)amino]benzoate chloride CAS Name: 3-[(2,6,8-trimethyl-4-quinolin-1-iumyl)amino]benzoic acid methyl ester chloride IUPAC Name: methyl 3-[(2,6,8-trimethylquinolin-1-ium-4-yl)amino]benzoate chloride Traditional Name: 3-[(2,6,8-trimethylquinolin-1-ium-4-yl)amino]benzoic acid methyl ester chloride Formula: C20H21ClN2O2 MolecularWeight: 356.84594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=CC(=[NH+]2)C)NC3=CC=CC(=C3)C(=O)OC)C.[Cl-]

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=CC(=[NH+]2)C)NC3=CC=CC(=C3)C(=O)OC)C.[Cl-]

InChI

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