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

Systemtic Name: 3-(1-aminocarbonyl-3,3-dimethyl-2-benzothiophen-1-yl)propyl-dimethyl-azanium chloride Openeye Name: 3-(1-carbamoyl-3,3-dimethyl-2-benzothiophen-1-yl)propyl-dimethyl-ammonium chloride CAS Name: 3-(1-carbamoyl-3,3-dimethyl-2-benzothiophen-1-yl)propyl-dimethylammonium chloride IUPAC Name: 3-(1-carbamoyl-3,3-dimethyl-2-benzothiophen-1-yl)propyl-dimethylazanium chloride Traditional Name: 3-(1-carbamoyl-3,3-dimethyl-isobenzothiophen-1-yl)propyl-dimethyl-ammonium chloride Formula: C16H25ClN2OS MolecularWeight: 328.9005

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2OS.ClH/c1-15(2)12-8-5-6-9-13(12)16(20-15,14(17)19)10-7-11-18(3)4;/h5-6,8-9H,7,10-11H2,1-4H3,(H2,17,19);1H