4-methoxy-N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]benzenesulfonamide

Systemtic Name: 4-methoxy-N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]benzenesulfonamide Openeye Name: 4-methoxy-N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]benzenesulfonamide CAS Name: 4-methoxy-N-[4-(1-piperidin-1-iumylmethyl)phenyl]benzenesulfonamide IUPAC Name: 4-methoxy-N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]benzenesulfonamide Traditional Name: 4-methoxy-N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]benzenesulfonamide Formula: C19H25N2O3S+ MolecularWeight: 361.4784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C[NH+]3CCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C[NH+]3CCCCC3

InChI

InChI=1S/C19H24N2O3S/c1-24-18-9-11-19(12-10-18)25(22,23)20-17-7-5-16(6-8-17)15-21-13-3-2-4-14-21/h5-12,20H,2-4,13-15H2,1H3/p+1