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

Systemtic Name: 3-(3,3-dimethyl-1-phenyl-2-benzothiophen-1-yl)propyl-methyl-azanium chloride Openeye Name: 3-(3,3-dimethyl-1-phenyl-2-benzothiophen-1-yl)propyl-methyl-ammonium chloride CAS Name: 3-(3,3-dimethyl-1-phenyl-2-benzothiophen-1-yl)propyl-methylammonium chloride IUPAC Name: 3-(3,3-dimethyl-1-phenyl-2-benzothiophen-1-yl)propyl-methylazanium chloride Traditional Name: 3-(3,3-dimethyl-1-phenyl-isobenzothiophen-1-yl)propyl-methyl-ammonium chloride Formula: C20H26ClNS MolecularWeight: 347.94514

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2C(S1)(CCC[NH2+]C)C3=CC=CC=C3)C.[Cl-]

Isomeric SMILES

CC1(C2=CC=CC=C2C(S1)(CCC[NH2+]C)C3=CC=CC=C3)C.[Cl-]

InChI

InChI=1S/C20H25NS.ClH/c1-19(2)17-12-7-8-13-18(17)20(22-19,14-9-15-21-3)16-10-5-4-6-11-16;/h4-8,10-13,21H,9,14-15H2,1-3H3;1H