2-[2-cycloheptyl-4-[(1-methylsulfonylquinolin-1-ium-2-yl)methoxy]phenyl]ethanamide

Systemtic Name: 2-[2-cycloheptyl-4-[(1-methylsulfonylquinolin-1-ium-2-yl)methoxy]phenyl]ethanamide Openeye Name: 2-[2-cycloheptyl-4-[(1-methylsulfonylquinolin-1-ium-2-yl)methoxy]phenyl]acetamide CAS Name: 2-[2-cycloheptyl-4-[(1-methylsulfonyl-2-quinolin-1-iumyl)methoxy]phenyl]acetamide IUPAC Name: 2-[2-cycloheptyl-4-[(1-methylsulfonylquinolin-1-ium-2-yl)methoxy]phenyl]acetamide Traditional Name: 2-[2-cycloheptyl-4-[(1-mesylquinolin-1-ium-2-yl)methoxy]phenyl]acetamide Formula: C26H31N2O4S+ MolecularWeight: 467.60034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)[N+]1=C(C=CC2=CC=CC=C21)COC3=CC(=C(C=C3)CC(=O)N)C4CCCCCC4

Isomeric SMILES

CS(=O)(=O)[N+]1=C(C=CC2=CC=CC=C21)COC3=CC(=C(C=C3)CC(=O)N)C4CCCCCC4

InChI

InChI=1S/C26H30N2O4S/c1-33(30,31)28-22(14-12-20-10-6-7-11-25(20)28)18-32-23-15-13-21(16-26(27)29)24(17-23)19-8-4-2-3-5-9-19/h6-7,10-15,17,19H,2-5,8-9,16,18H2,1H3,(H-,27,29)/p+1