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

Systemtic Name: propyl 4-[(6-methoxy-2-methyl-quinolin-1-ium-4-yl)amino]benzoate chloride Openeye Name: propyl 4-[(6-methoxy-2-methyl-quinolin-1-ium-4-yl)amino]benzoate chloride CAS Name: 4-[(6-methoxy-2-methyl-4-quinolin-1-iumyl)amino]benzoic acid propyl ester chloride IUPAC Name: propyl 4-[(6-methoxy-2-methylquinolin-1-ium-4-yl)amino]benzoate chloride Traditional Name: 4-[(6-methoxy-2-methyl-quinolin-1-ium-4-yl)amino]benzoic acid propyl ester chloride Formula: C21H23ClN2O3 MolecularWeight: 386.87192

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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)OC)C.[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O3.ClH/c1-4-11-26-21(24)15-5-7-16(8-6-15)23-20-12-14(2)22-19-10-9-17(25-3)13-18(19)20;/h5-10,12-13H,4,11H2,1-3H3,(H,22,23);1H