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

Systemtic Name: methyl 4-[(2-methylquinolin-1-ium-4-yl)amino]benzoate chloride Openeye Name: methyl 4-[(2-methylquinolin-1-ium-4-yl)amino]benzoate chloride CAS Name: 4-[(2-methyl-4-quinolin-1-iumyl)amino]benzoic acid methyl ester chloride IUPAC Name: methyl 4-[(2-methylquinolin-1-ium-4-yl)amino]benzoate chloride Traditional Name: 4-[(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=C(C=C3)C(=O)OC.[Cl-]

Isomeric SMILES

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

InChI

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