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

Systemtic Name: N-[1-[3-(4-cyclopropylcarbonylphenoxy)propyl]pyrrolidin-1-ium-1-yl]-4-ethyl-benzenesulfonamide Openeye Name: N-[1-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]-4-ethyl-benzenesulfonamide CAS Name: N-[1-[3-[4-[cyclopropyl(oxo)methyl]phenoxy]propyl]-1-pyrrolidin-1-iumyl]-4-ethylbenzenesulfonamide IUPAC Name: N-[1-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]-4-ethylbenzenesulfonamide Traditional Name: N-[1-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]-4-ethyl-benzenesulfonamide Formula: C25H33N2O4S+ MolecularWeight: 457.60552

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)S(=O)(=O)N[N+]2(CCCC2)CCCOC3=CC=C(C=C3)C(=O)C4CC4

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)N[N+]2(CCCC2)CCCOC3=CC=C(C=C3)C(=O)C4CC4

InChI

InChI=1S/C25H33N2O4S/c1-2-20-6-14-24(15-7-20)32(29,30)26-27(16-3-4-17-27)18-5-19-31-23-12-10-22(11-13-23)25(28)21-8-9-21/h6-7,10-15,21,26H,2-5,8-9,16-19H2,1H3/q+1