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

Systemtic Name: butyl 4-[(6-chloranyl-2-methyl-quinolin-1-ium-4-yl)amino]benzoate chloride Openeye Name: butyl 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 butyl ester chloride IUPAC Name: butyl 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 butyl ester chloride Formula: C21H22Cl2N2O2 MolecularWeight: 405.31758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN2O2.ClH/c1-3-4-11-26-21(25)15-5-8-17(9-6-15)24-20-12-14(2)23-19-10-7-16(22)13-18(19)20;/h5-10,12-13H,3-4,11H2,1-2H3,(H,23,24);1H