4-butoxy-N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]benzenesulfonamide

Systemtic Name: 4-butoxy-N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]benzenesulfonamide Openeye Name: 4-butoxy-N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]benzenesulfonamide CAS Name: 4-butoxy-N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]-1-pyrrolidin-1-iumyl]benzenesulfonamide IUPAC Name: 4-butoxy-N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]benzenesulfonamide Traditional Name: 4-butoxy-N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]benzenesulfonamide Formula: C30H36N3O4S+ MolecularWeight: 534.68954

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)N[N+]2(CCCC2)CCCOC3=CC=C(C=C3)C4=CC=C(C=C4)C#N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)N[N+]2(CCCC2)CCCOC3=CC=C(C=C3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C30H36N3O4S/c1-2-3-22-36-29-15-17-30(18-16-29)38(34,35)32-33(19-4-5-20-33)21-6-23-37-28-13-11-27(12-14-28)26-9-7-25(24-31)8-10-26/h7-18,32H,2-6,19-23H2,1H3/q+1