5-chloranyl-N-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]-2-methoxy-benzenesulfonamide

Systemtic Name: 5-chloranyl-N-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]-2-methoxy-benzenesulfonamide Openeye Name: 5-chloro-N-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]-2-methoxy-benzenesulfonamide CAS Name: 5-chloro-N-[(1-cyclopentyl-4-piperidin-1-iumyl)methyl]-2-methoxybenzenesulfonamide IUPAC Name: 5-chloro-N-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]-2-methoxybenzenesulfonamide Traditional Name: 5-chloro-N-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]-2-methoxy-benzenesulfonamide Formula: C18H28ClN2O3S+ MolecularWeight: 387.94452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)S(=O)(=O)NCC2CC[NH+](CC2)C3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)S(=O)(=O)NCC2CC[NH+](CC2)C3CCCC3

InChI

InChI=1S/C18H27ClN2O3S/c1-24-17-7-6-15(19)12-18(17)25(22,23)20-13-14-8-10-21(11-9-14)16-4-2-3-5-16/h6-7,12,14,16,20H,2-5,8-11,13H2,1H3/p+1