N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]isoquinoline-7-sulfonamide

Systemtic Name: N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]isoquinoline-7-sulfonamide Openeye Name: N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]isoquinoline-7-sulfonamide CAS Name: N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]-1-pyrrolidin-1-iumyl]-7-isoquinolinesulfonamide IUPAC Name: N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]isoquinoline-7-sulfonamide Traditional Name: N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]isoquinoline-7-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=CC5=C(C=C4)C=CN=C5

Isomeric SMILES

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

InChI

InChI=1S/C29H29N4O3S/c30-21-23-4-6-24(7-5-23)25-8-11-28(12-9-25)36-19-3-18-33(16-1-2-17-33)32-37(34,35)29-13-10-26-14-15-31-22-27(26)20-29/h4-15,20,22,32H,1-3,16-19H2/q+1