2-[3-(3,3-dimethyl-1-phenyl-2-benzothiophen-1-yl)propyl-methyl-amino]ethanoic acid hydrochloride

Systemtic Name: 2-[3-(3,3-dimethyl-1-phenyl-2-benzothiophen-1-yl)propyl-methyl-amino]ethanoic acid hydrochloride Openeye Name: 2-[3-(3,3-dimethyl-1-phenyl-2-benzothiophen-1-yl)propyl-methyl-amino]acetic acid hydrochloride CAS Name: 2-[3-(3,3-dimethyl-1-phenyl-2-benzothiophen-1-yl)propyl-methylamino]acetic acid hydrochloride IUPAC Name: 2-[3-(3,3-dimethyl-1-phenyl-2-benzothiophen-1-yl)propyl-methylamino]acetic acid hydrochloride Traditional Name: 2-[3-(3,3-dimethyl-1-phenyl-isobenzothiophen-1-yl)propyl-methyl-amino]acetic acid hydrochloride Formula: C22H28ClNO2S MolecularWeight: 405.98122

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2C(S1)(CCCN(C)CC(=O)O)C3=CC=CC=C3)C.Cl

Isomeric SMILES

CC1(C2=CC=CC=C2C(S1)(CCCN(C)CC(=O)O)C3=CC=CC=C3)C.Cl

InChI

InChI=1S/C22H27NO2S.ClH/c1-21(2)18-12-7-8-13-19(18)22(26-21,17-10-5-4-6-11-17)14-9-15-23(3)16-20(24)25;/h4-8,10-13H,9,14-16H2,1-3H3,(H,24,25);1H