3,4-dimethoxy-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzenesulfonamide

Systemtic Name: 3,4-dimethoxy-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzenesulfonamide Openeye Name: 3,4-dimethoxy-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzenesulfonamide CAS Name: 3,4-dimethoxy-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]benzenesulfonamide IUPAC Name: 3,4-dimethoxy-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzenesulfonamide Traditional Name: 3,4-dimethoxy-N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]benzenesulfonamide Formula: C20H27N2O4S+ MolecularWeight: 391.50438

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=C(C=C2)C[NH+]3CCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=C(C=C2)C[NH+]3CCCC3)OC

InChI

InChI=1S/C20H26N2O4S/c1-25-19-10-9-18(13-20(19)26-2)27(23,24)21-14-16-5-7-17(8-6-16)15-22-11-3-4-12-22/h5-10,13,21H,3-4,11-12,14-15H2,1-2H3/p+1