[(2R)-3-[(2-acetamido-6-bromanyl-3-ethoxycarbonyl-1-benzothiophen-7-yl)oxy]-2-oxidanyl-propyl]-diethyl-azanium

Systemtic Name: [(2R)-3-[(2-acetamido-6-bromanyl-3-ethoxycarbonyl-1-benzothiophen-7-yl)oxy]-2-oxidanyl-propyl]-diethyl-azanium Openeye Name: [(2R)-3-(2-acetamido-6-bromo-3-ethoxycarbonyl-benzothiophen-7-yl)oxy-2-hydroxy-propyl]-diethyl-ammonium CAS Name: [(2R)-3-[(2-acetamido-6-bromo-3-ethoxycarbonyl-1-benzothiophen-7-yl)oxy]-2-hydroxypropyl]-diethylammonium IUPAC Name: [(2R)-3-[(2-acetamido-6-bromo-3-ethoxycarbonyl-1-benzothiophen-7-yl)oxy]-2-hydroxypropyl]-diethylazanium Traditional Name: [(2R)-3-(2-acetamido-6-bromo-3-carbethoxy-benzothiophen-7-yl)oxy-2-hydroxy-propyl]-diethyl-ammonium Formula: C20H28BrN2O5S+ MolecularWeight: 488.41572

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC(COC1=C(C=CC2=C1SC(=C2C(=O)OCC)NC(=O)C)Br)O

Isomeric SMILES

CC[NH+](CC)C[C@H](COC1=C(C=CC2=C1SC(=C2C(=O)OCC)NC(=O)C)Br)O

InChI

InChI=1S/C20H27BrN2O5S/c1-5-23(6-2)10-13(25)11-28-17-15(21)9-8-14-16(20(26)27-7-3)19(22-12(4)24)29-18(14)17/h8-9,13,25H,5-7,10-11H2,1-4H3,(H,22,24)/p+1/t13-/m1/s1