2-[4-(1-benzothiophen-3-yl)-2-(morpholin-4-ium-4-ylmethyl)phenoxy]-N-(furan-2-ylmethyl)ethanamide

Systemtic Name: 2-[4-(1-benzothiophen-3-yl)-2-(morpholin-4-ium-4-ylmethyl)phenoxy]-N-(furan-2-ylmethyl)ethanamide Openeye Name: 2-[4-(benzothiophen-3-yl)-2-(morpholin-4-ium-4-ylmethyl)phenoxy]-N-(2-furylmethyl)acetamide CAS Name: 2-[4-(1-benzothiophen-3-yl)-2-(4-morpholin-4-iumylmethyl)phenoxy]-N-(2-furanylmethyl)acetamide IUPAC Name: 2-[4-(1-benzothiophen-3-yl)-2-(morpholin-4-ium-4-ylmethyl)phenoxy]-N-(furan-2-ylmethyl)acetamide Traditional Name: 2-[4-(benzothiophen-3-yl)-2-(morpholin-4-ium-4-ylmethyl)phenoxy]-N-(2-furfuryl)acetamide Formula: C26H27N2O4S+ MolecularWeight: 463.56858

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=C(C=CC(=C2)C3=CSC4=CC=CC=C43)OCC(=O)NCC5=CC=CO5

Isomeric SMILES

C1COCC[NH+]1CC2=C(C=CC(=C2)C3=CSC4=CC=CC=C43)OCC(=O)NCC5=CC=CO5

InChI

InChI=1S/C26H26N2O4S/c29-26(27-15-21-4-3-11-31-21)17-32-24-8-7-19(14-20(24)16-28-9-12-30-13-10-28)23-18-33-25-6-2-1-5-22(23)25/h1-8,11,14,18H,9-10,12-13,15-17H2,(H,27,29)/p+1