3-(1-ethoxycarbonyl-3,3-dimethyl-2-benzothiophen-1-yl)propyl-dimethyl-azanium chloride

Systemtic Name: 3-(1-ethoxycarbonyl-3,3-dimethyl-2-benzothiophen-1-yl)propyl-dimethyl-azanium chloride Openeye Name: 3-(1-ethoxycarbonyl-3,3-dimethyl-2-benzothiophen-1-yl)propyl-dimethyl-ammonium chloride CAS Name: 3-(1-ethoxycarbonyl-3,3-dimethyl-2-benzothiophen-1-yl)propyl-dimethylammonium chloride IUPAC Name: 3-(1-ethoxycarbonyl-3,3-dimethyl-2-benzothiophen-1-yl)propyl-dimethylazanium chloride Traditional Name: 3-(1-carbethoxy-3,3-dimethyl-isobenzothiophen-1-yl)propyl-dimethyl-ammonium chloride Formula: C18H28ClNO2S MolecularWeight: 357.93842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C2=CC=CC=C2C(S1)(C)C)CCC[NH+](C)C.[Cl-]

Isomeric SMILES

CCOC(=O)C1(C2=CC=CC=C2C(S1)(C)C)CCC[NH+](C)C.[Cl-]

InChI

InChI=1S/C18H27NO2S.ClH/c1-6-21-16(20)18(12-9-13-19(4)5)15-11-8-7-10-14(15)17(2,3)22-18;/h7-8,10-11H,6,9,12-13H2,1-5H3;1H