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

Systemtic Name: 3-(1-ethanoyl-3,3-dimethyl-2-benzothiophen-1-yl)propyl-dimethyl-azanium chloride Openeye Name: 3-(1-acetyl-3,3-dimethyl-2-benzothiophen-1-yl)propyl-dimethyl-ammonium chloride CAS Name: 3-(1-acetyl-3,3-dimethyl-2-benzothiophen-1-yl)propyl-dimethylammonium chloride IUPAC Name: 3-(1-acetyl-3,3-dimethyl-2-benzothiophen-1-yl)propyl-dimethylazanium chloride Traditional Name: 3-(1-acetyl-3,3-dimethyl-isobenzothiophen-1-yl)propyl-dimethyl-ammonium chloride Formula: C17H26ClNOS MolecularWeight: 327.91244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25NOS.ClH/c1-13(19)17(11-8-12-18(4)5)15-10-7-6-9-14(15)16(2,3)20-17;/h6-7,9-10H,8,11-12H2,1-5H3;1H