N-(1-benzothiophen-2-ylmethyl)-2-[2-(pyrrolidin-1-ium-1-ylmethyl)-4-thiophen-2-yl-phenoxy]ethanamide

Systemtic Name: N-(1-benzothiophen-2-ylmethyl)-2-[2-(pyrrolidin-1-ium-1-ylmethyl)-4-thiophen-2-yl-phenoxy]ethanamide Openeye Name: N-(benzothiophen-2-ylmethyl)-2-[2-(pyrrolidin-1-ium-1-ylmethyl)-4-(2-thienyl)phenoxy]acetamide CAS Name: N-(1-benzothiophen-2-ylmethyl)-2-[2-(1-pyrrolidin-1-iumylmethyl)-4-thiophen-2-ylphenoxy]acetamide IUPAC Name: N-(1-benzothiophen-2-ylmethyl)-2-[2-(pyrrolidin-1-ium-1-ylmethyl)-4-thiophen-2-ylphenoxy]acetamide Traditional Name: N-(benzothiophen-2-ylmethyl)-2-[2-(pyrrolidin-1-ium-1-ylmethyl)-4-(2-thienyl)phenoxy]acetamide Formula: C26H27N2O2S2+ MolecularWeight: 463.63478

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=C(C=CC(=C2)C3=CC=CS3)OCC(=O)NCC4=CC5=CC=CC=C5S4

Isomeric SMILES

C1CC[NH+](C1)CC2=C(C=CC(=C2)C3=CC=CS3)OCC(=O)NCC4=CC5=CC=CC=C5S4

InChI

InChI=1S/C26H26N2O2S2/c29-26(27-16-22-15-19-6-1-2-7-25(19)32-22)18-30-23-10-9-20(24-8-5-13-31-24)14-21(23)17-28-11-3-4-12-28/h1-2,5-10,13-15H,3-4,11-12,16-18H2,(H,27,29)/p+1