methyl 2-(4-azanyl-2-methyl-quinolin-1-ium-1-yl)ethanoate bromide

Systemtic Name: methyl 2-(4-azanyl-2-methyl-quinolin-1-ium-1-yl)ethanoate bromide Openeye Name: methyl 2-(4-amino-2-methyl-quinolin-1-ium-1-yl)acetate bromide CAS Name: 2-(4-amino-2-methyl-1-quinolin-1-iumyl)acetic acid methyl ester bromide IUPAC Name: methyl 2-(4-amino-2-methylquinolin-1-ium-1-yl)acetate bromide Traditional Name: 2-(4-amino-2-methyl-quinolin-1-ium-1-yl)acetic acid methyl ester bromide Formula: C13H15BrN2O2 MolecularWeight: 311.1744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=CC=CC=C2C(=C1)N)CC(=O)OC.[Br-]

Isomeric SMILES

CC1=[N+](C2=CC=CC=C2C(=C1)N)CC(=O)OC.[Br-]

InChI

InChI=1S/C13H14N2O2.BrH/c1-9-7-11(14)10-5-3-4-6-12(10)15(9)8-13(16)17-2;/h3-7,14H,8H2,1-2H3;1H