propyl 4-[(6-chloranyl-2-methyl-quinolin-1-ium-4-yl)amino]benzoate chloride

Systemtic Name: propyl 4-[(6-chloranyl-2-methyl-quinolin-1-ium-4-yl)amino]benzoate chloride Openeye Name: propyl 4-[(6-chloro-2-methyl-quinolin-1-ium-4-yl)amino]benzoate chloride CAS Name: 4-[(6-chloro-2-methyl-4-quinolin-1-iumyl)amino]benzoic acid propyl ester chloride IUPAC Name: propyl 4-[(6-chloro-2-methylquinolin-1-ium-4-yl)amino]benzoate chloride Traditional Name: 4-[(6-chloro-2-methyl-quinolin-1-ium-4-yl)amino]benzoic acid propyl ester chloride Formula: C20H20Cl2N2O2 MolecularWeight: 391.291

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN2O2.ClH/c1-3-10-25-20(24)14-4-7-16(8-5-14)23-19-11-13(2)22-18-9-6-15(21)12-17(18)19;/h4-9,11-12H,3,10H2,1-2H3,(H,22,23);1H