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

Systemtic Name: 3-(3,3-dimethyl-1-phenyl-2-benzothiophen-1-yl)propyl-dimethyl-azanium chloride Openeye Name: 3-(3,3-dimethyl-1-phenyl-2-benzothiophen-1-yl)propyl-dimethyl-ammonium chloride CAS Name: 3-(3,3-dimethyl-1-phenyl-2-benzothiophen-1-yl)propyl-dimethylammonium chloride IUPAC Name: 3-(3,3-dimethyl-1-phenyl-2-benzothiophen-1-yl)propyl-dimethylazanium chloride Traditional Name: 3-(3,3-dimethyl-1-phenyl-isobenzothiophen-1-yl)propyl-dimethyl-ammonium chloride Formula: C21H28ClNS MolecularWeight: 361.97172

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2C(S1)(CCC[NH+](C)C)C3=CC=CC=C3)C.[Cl-]

Isomeric SMILES

CC1(C2=CC=CC=C2C(S1)(CCC[NH+](C)C)C3=CC=CC=C3)C.[Cl-]

InChI

InChI=1S/C21H27NS.ClH/c1-20(2)18-13-8-9-14-19(18)21(23-20,15-10-16-22(3)4)17-11-6-5-7-12-17;/h5-9,11-14H,10,15-16H2,1-4H3;1H