hexanoate; 4-methylquinolin-1-ium

Systemtic Name: hexanoate; 4-methylquinolin-1-ium Openeye Name: hexanoate; 4-methylquinolin-1-ium CAS Name: hexanoate; 4-methylquinolin-1-ium IUPAC Name: hexanoate; 4-methylquinolin-1-ium Traditional Name: hexanoate; 4-methylquinolin-1-ium Formula: C16H21NO2 MolecularWeight: 259.34344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)[O-].CC1=CC=[NH+]C2=CC=CC=C12

Isomeric SMILES

CCCCCC(=O)[O-].CC1=CC=[NH+]C2=CC=CC=C12

InChI

InChI=1S/C10H9N.C6H12O2/c1-8-6-7-11-10-5-3-2-4-9(8)10;1-2-3-4-5-6(7)8/h2-7H,1H3;2-5H2,1H3,(H,7,8)