N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]quinoline-8-sulfonamide

Systemtic Name: N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]quinoline-8-sulfonamide Openeye Name: N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]quinoline-8-sulfonamide CAS Name: N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]-1-pyrrolidin-1-iumyl]-8-quinolinesulfonamide IUPAC Name: N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]quinoline-8-sulfonamide Traditional Name: N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]quinoline-8-sulfonamide Formula: C29H29N4O3S+ MolecularWeight: 513.63056

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](C1)(CCCOC2=CC=C(C=C2)C3=CC=C(C=C3)C#N)NS(=O)(=O)C4=CC=CC5=C4N=CC=C5

Isomeric SMILES

C1CC[N+](C1)(CCCOC2=CC=C(C=C2)C3=CC=C(C=C3)C#N)NS(=O)(=O)C4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C29H29N4O3S/c30-22-23-9-11-24(12-10-23)25-13-15-27(16-14-25)36-21-5-20-33(18-1-2-19-33)32-37(34,35)28-8-3-6-26-7-4-17-31-29(26)28/h3-4,6-17,32H,1-2,5,18-21H2/q+1