2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[(2R)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]ethanamide

Systemtic Name: 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[(2R)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]ethanamide Openeye Name: 2-(6,7-dimethylbenzofuran-3-yl)-N-[(2R)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]acetamide CAS Name: 2-(6,7-dimethyl-3-benzofuranyl)-N-[(2R)-2-(4-morpholin-4-iumyl)-2-thiophen-2-ylethyl]acetamide IUPAC Name: 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[(2R)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]acetamide Traditional Name: 2-(6,7-dimethylbenzofuran-3-yl)-N-[(2R)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]acetamide Formula: C22H27N2O3S+ MolecularWeight: 399.52638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CO2)CC(=O)NCC(C3=CC=CS3)[NH+]4CCOCC4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CO2)CC(=O)NC[C@H](C3=CC=CS3)[NH+]4CCOCC4)C

InChI

InChI=1S/C22H26N2O3S/c1-15-5-6-18-17(14-27-22(18)16(15)2)12-21(25)23-13-19(20-4-3-11-28-20)24-7-9-26-10-8-24/h3-6,11,14,19H,7-10,12-13H2,1-2H3,(H,23,25)/p+1/t19-/m1/s1