(2-acetamido-3-ethoxycarbonyl-7-oxidanyl-1-benzothiophen-6-yl)methyl-dimethyl-azanium

Systemtic Name: (2-acetamido-3-ethoxycarbonyl-7-oxidanyl-1-benzothiophen-6-yl)methyl-dimethyl-azanium Openeye Name: (2-acetamido-3-ethoxycarbonyl-7-hydroxy-benzothiophen-6-yl)methyl-dimethyl-ammonium CAS Name: (2-acetamido-3-ethoxycarbonyl-7-hydroxy-1-benzothiophen-6-yl)methyl-dimethylammonium IUPAC Name: (2-acetamido-3-ethoxycarbonyl-7-hydroxy-1-benzothiophen-6-yl)methyl-dimethylazanium Traditional Name: (2-acetamido-3-carbethoxy-7-hydroxy-benzothiophen-6-yl)methyl-dimethyl-ammonium Formula: C16H21N2O4S+ MolecularWeight: 337.41394

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1C=CC(=C2O)C[NH+](C)C)NC(=O)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1C=CC(=C2O)C[NH+](C)C)NC(=O)C

InChI

InChI=1S/C16H20N2O4S/c1-5-22-16(21)12-11-7-6-10(8-18(3)4)13(20)14(11)23-15(12)17-9(2)19/h6-7,20H,5,8H2,1-4H3,(H,17,19)/p+1