3-[3,3-dimethyl-1-(phenylcarbamoyl)-2-benzothiophen-1-yl]propyl-dimethyl-azanium chloride

Systemtic Name: 3-[3,3-dimethyl-1-(phenylcarbamoyl)-2-benzothiophen-1-yl]propyl-dimethyl-azanium chloride Openeye Name: 3-[3,3-dimethyl-1-(phenylcarbamoyl)-2-benzothiophen-1-yl]propyl-dimethyl-ammonium chloride CAS Name: 3-[1-[anilino(oxo)methyl]-3,3-dimethyl-2-benzothiophen-1-yl]propyl-dimethylammonium chloride IUPAC Name: 3-[3,3-dimethyl-1-(phenylcarbamoyl)-2-benzothiophen-1-yl]propyl-dimethylazanium chloride Traditional Name: 3-[3,3-dimethyl-1-(phenylcarbamoyl)isobenzothiophen-1-yl]propyl-dimethyl-ammonium chloride Formula: C22H29ClN2OS MolecularWeight: 404.99646

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2C(S1)(CCC[NH+](C)C)C(=O)NC3=CC=CC=C3)C.[Cl-]

Isomeric SMILES

CC1(C2=CC=CC=C2C(S1)(CCC[NH+](C)C)C(=O)NC3=CC=CC=C3)C.[Cl-]

InChI

InChI=1S/C22H28N2OS.ClH/c1-21(2)18-13-8-9-14-19(18)22(26-21,15-10-16-24(3)4)20(25)23-17-11-6-5-7-12-17;/h5-9,11-14H,10,15-16H2,1-4H3,(H,23,25);1H