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

Systemtic Name: 3-(1-methoxycarbonyl-3,3-dimethyl-2-benzothiophen-1-yl)propyl-dimethyl-azanium chloride Openeye Name: 3-(1-methoxycarbonyl-3,3-dimethyl-2-benzothiophen-1-yl)propyl-dimethyl-ammonium chloride CAS Name: 3-(1-methoxycarbonyl-3,3-dimethyl-2-benzothiophen-1-yl)propyl-dimethylammonium chloride IUPAC Name: 3-(1-methoxycarbonyl-3,3-dimethyl-2-benzothiophen-1-yl)propyl-dimethylazanium chloride Traditional Name: 3-(1-carbomethoxy-3,3-dimethyl-isobenzothiophen-1-yl)propyl-dimethyl-ammonium chloride Formula: C17H26ClNO2S MolecularWeight: 343.91184

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2C(S1)(CCC[NH+](C)C)C(=O)OC)C.[Cl-]

Isomeric SMILES

CC1(C2=CC=CC=C2C(S1)(CCC[NH+](C)C)C(=O)OC)C.[Cl-]

InChI

InChI=1S/C17H25NO2S.ClH/c1-16(2)13-9-6-7-10-14(13)17(21-16,15(19)20-5)11-8-12-18(3)4;/h6-7,9-10H,8,11-12H2,1-5H3;1H