methyl 5-[[(7-chloranylquinolin-1-ium-4-yl)amino]methyl]-2-methoxy-benzoate

Systemtic Name: methyl 5-[[(7-chloranylquinolin-1-ium-4-yl)amino]methyl]-2-methoxy-benzoate Openeye Name: methyl 5-[[(7-chloroquinolin-1-ium-4-yl)amino]methyl]-2-methoxy-benzoate CAS Name: 5-[[(7-chloro-4-quinolin-1-iumyl)amino]methyl]-2-methoxybenzoic acid methyl ester IUPAC Name: methyl 5-[[(7-chloroquinolin-1-ium-4-yl)amino]methyl]-2-methoxybenzoate Traditional Name: 5-[[(7-chloroquinolin-1-ium-4-yl)amino]methyl]-2-methoxy-benzoic acid methyl ester Formula: C19H18ClN2O3+ MolecularWeight: 357.81082

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=C3C=CC(=CC3=[NH+]C=C2)Cl)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=C3C=CC(=CC3=[NH+]C=C2)Cl)C(=O)OC

InChI

InChI=1S/C19H17ClN2O3/c1-24-18-6-3-12(9-15(18)19(23)25-2)11-22-16-7-8-21-17-10-13(20)4-5-14(16)17/h3-10H,11H2,1-2H3,(H,21,22)/p+1