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

Systemtic Name: 3-(3,3-dimethyl-1-phenyl-2-benzothiophen-1-yl)propyl-diethyl-azanium chloride Openeye Name: 3-(3,3-dimethyl-1-phenyl-2-benzothiophen-1-yl)propyl-diethyl-ammonium chloride CAS Name: 3-(3,3-dimethyl-1-phenyl-2-benzothiophen-1-yl)propyl-diethylammonium chloride IUPAC Name: 3-(3,3-dimethyl-1-phenyl-2-benzothiophen-1-yl)propyl-diethylazanium chloride Traditional Name: 3-(3,3-dimethyl-1-phenyl-isobenzothiophen-1-yl)propyl-diethyl-ammonium chloride Formula: C23H32ClNS MolecularWeight: 390.02488

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCC1(C2=CC=CC=C2C(S1)(C)C)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

CC[NH+](CC)CCCC1(C2=CC=CC=C2C(S1)(C)C)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C23H31NS.ClH/c1-5-24(6-2)18-12-17-23(19-13-8-7-9-14-19)21-16-11-10-15-20(21)22(3,4)25-23;/h7-11,13-16H,5-6,12,17-18H2,1-4H3;1H