methyl 3-[(2-methylquinolin-1-ium-4-yl)amino]benzoate chloride

Systemtic Name: methyl 3-[(2-methylquinolin-1-ium-4-yl)amino]benzoate chloride Openeye Name: methyl 3-[(2-methylquinolin-1-ium-4-yl)amino]benzoate chloride CAS Name: 3-[(2-methyl-4-quinolin-1-iumyl)amino]benzoic acid methyl ester chloride IUPAC Name: methyl 3-[(2-methylquinolin-1-ium-4-yl)amino]benzoate chloride Traditional Name: 3-[(2-methylquinolin-1-ium-4-yl)amino]benzoic acid methyl ester chloride Formula: C18H17ClN2O2 MolecularWeight: 328.79278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C2=CC=CC=C2C(=C1)NC3=CC=CC(=C3)C(=O)OC.[Cl-]

Isomeric SMILES

CC1=[NH+]C2=CC=CC=C2C(=C1)NC3=CC=CC(=C3)C(=O)OC.[Cl-]

InChI

InChI=1S/C18H16N2O2.ClH/c1-12-10-17(15-8-3-4-9-16(15)19-12)20-14-7-5-6-13(11-14)18(21)22-2;/h3-11H,1-2H3,(H,19,20);1H