2,5-dimethoxy-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzenesulfonamide

Systemtic Name: 2,5-dimethoxy-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzenesulfonamide Openeye Name: 2,5-dimethoxy-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzenesulfonamide CAS Name: 2,5-dimethoxy-N-[[2-(1-piperidin-1-iumylmethyl)phenyl]methyl]benzenesulfonamide IUPAC Name: 2,5-dimethoxy-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzenesulfonamide Traditional Name: 2,5-dimethoxy-N-[2-(piperidin-1-ium-1-ylmethyl)benzyl]benzenesulfonamide Formula: C21H29N2O4S+ MolecularWeight: 405.53096

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)S(=O)(=O)NCC2=CC=CC=C2C[NH+]3CCCCC3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)S(=O)(=O)NCC2=CC=CC=C2C[NH+]3CCCCC3

InChI

InChI=1S/C21H28N2O4S/c1-26-19-10-11-20(27-2)21(14-19)28(24,25)22-15-17-8-4-5-9-18(17)16-23-12-6-3-7-13-23/h4-5,8-11,14,22H,3,6-7,12-13,15-16H2,1-2H3/p+1