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

Systemtic Name: 2-[(2-acetamido-6-bromanyl-3-ethoxycarbonyl-1-benzothiophen-7-yl)oxy]ethyl-diethyl-azanium Openeye Name: 2-(2-acetamido-6-bromo-3-ethoxycarbonyl-benzothiophen-7-yl)oxyethyl-diethyl-ammonium CAS Name: 2-[(2-acetamido-6-bromo-3-ethoxycarbonyl-1-benzothiophen-7-yl)oxy]ethyl-diethylammonium IUPAC Name: 2-[(2-acetamido-6-bromo-3-ethoxycarbonyl-1-benzothiophen-7-yl)oxy]ethyl-diethylazanium Traditional Name: 2-(2-acetamido-6-bromo-3-carbethoxy-benzothiophen-7-yl)oxyethyl-diethyl-ammonium Formula: C19H26BrN2O4S+ MolecularWeight: 458.38974

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCOC1=C(C=CC2=C1SC(=C2C(=O)OCC)NC(=O)C)Br

Isomeric SMILES

CC[NH+](CC)CCOC1=C(C=CC2=C1SC(=C2C(=O)OCC)NC(=O)C)Br

InChI

InChI=1S/C19H25BrN2O4S/c1-5-22(6-2)10-11-26-16-14(20)9-8-13-15(19(24)25-7-3)18(21-12(4)23)27-17(13)16/h8-9H,5-7,10-11H2,1-4H3,(H,21,23)/p+1