3,4-dimethoxy-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzenesulfonamide

Systemtic Name: 3,4-dimethoxy-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzenesulfonamide Openeye Name: 3,4-dimethoxy-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzenesulfonamide CAS Name: 3,4-dimethoxy-N-[[2-(4-morpholin-4-iumylmethyl)phenyl]methyl]benzenesulfonamide IUPAC Name: 3,4-dimethoxy-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzenesulfonamide Traditional Name: 3,4-dimethoxy-N-[2-(morpholin-4-ium-4-ylmethyl)benzyl]benzenesulfonamide Formula: C20H27N2O5S+ MolecularWeight: 407.50378

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=CC=C2C[NH+]3CCOCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=CC=C2C[NH+]3CCOCC3)OC

InChI

InChI=1S/C20H26N2O5S/c1-25-19-8-7-18(13-20(19)26-2)28(23,24)21-14-16-5-3-4-6-17(16)15-22-9-11-27-12-10-22/h3-8,13,21H,9-12,14-15H2,1-2H3/p+1