N-[1-[3-(4-cyclopropylcarbonylphenoxy)propyl]pyrrolidin-1-ium-1-yl]-3,4-dimethoxy-benzenesulfonamide

Systemtic Name: N-[1-[3-(4-cyclopropylcarbonylphenoxy)propyl]pyrrolidin-1-ium-1-yl]-3,4-dimethoxy-benzenesulfonamide Openeye Name: N-[1-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]-3,4-dimethoxy-benzenesulfonamide CAS Name: N-[1-[3-[4-[cyclopropyl(oxo)methyl]phenoxy]propyl]-1-pyrrolidin-1-iumyl]-3,4-dimethoxybenzenesulfonamide IUPAC Name: N-[1-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]-3,4-dimethoxybenzenesulfonamide Traditional Name: N-[1-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]-3,4-dimethoxy-benzenesulfonamide Formula: C25H33N2O6S+ MolecularWeight: 489.60432

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N[N+]2(CCCC2)CCCOC3=CC=C(C=C3)C(=O)C4CC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N[N+]2(CCCC2)CCCOC3=CC=C(C=C3)C(=O)C4CC4)OC

InChI

InChI=1S/C25H33N2O6S/c1-31-23-13-12-22(18-24(23)32-2)34(29,30)26-27(14-3-4-15-27)16-5-17-33-21-10-8-20(9-11-21)25(28)19-6-7-19/h8-13,18-19,26H,3-7,14-17H2,1-2H3/q+1