1-[3-(dimethylamino)propyl]-3,3-dimethyl-2-benzothiophene-1-carboxylic acid hydrochloride

Systemtic Name: 1-[3-(dimethylamino)propyl]-3,3-dimethyl-2-benzothiophene-1-carboxylic acid hydrochloride Openeye Name: 1-[3-(dimethylamino)propyl]-3,3-dimethyl-2-benzothiophene-1-carboxylic acid hydrochloride CAS Name: 1-[3-(dimethylamino)propyl]-3,3-dimethyl-2-benzothiophene-1-carboxylic acid hydrochloride IUPAC Name: 1-[3-(dimethylamino)propyl]-3,3-dimethyl-2-benzothiophene-1-carboxylic acid hydrochloride Traditional Name: 1-[3-(dimethylamino)propyl]-3,3-dimethyl-isobenzothiophene-1-carboxylic acid hydrochloride Formula: C16H24ClNO2S MolecularWeight: 329.88526

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2C(S1)(CCCN(C)C)C(=O)O)C.Cl

Isomeric SMILES

CC1(C2=CC=CC=C2C(S1)(CCCN(C)C)C(=O)O)C.Cl

InChI

InChI=1S/C16H23NO2S.ClH/c1-15(2)12-8-5-6-9-13(12)16(20-15,14(18)19)10-7-11-17(3)4;/h5-6,8-9H,7,10-11H2,1-4H3,(H,18,19);1H