7-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-methyl-amino]methyl]-1-benzothiophene-3-carbonitrile chloride

Systemtic Name: 7-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-methyl-amino]methyl]-1-benzothiophene-3-carbonitrile chloride Openeye Name: 7-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-methyl-amino]methyl]benzothiophene-3-carbonitrile chloride CAS Name: 7-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-methylamino]methyl]-1-benzothiophene-3-carbonitrile chloride IUPAC Name: 7-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-methylamino]methyl]-1-benzothiophene-3-carbonitrile chloride Traditional Name: 7-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-methyl-amino]methyl]benzothiophene-3-carbonitrile chloride Formula: C20H22ClN2S- MolecularWeight: 357.92008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C#CC=CCN(C)CC1=CC=CC2=C1SC=C2C#N.[Cl-]

Isomeric SMILES

CC(C)(C)C#C/C=C/CN(C)CC1=CC=CC2=C1SC=C2C#N.[Cl-]

InChI

InChI=1S/C20H22N2S.ClH/c1-20(2,3)11-6-5-7-12-22(4)14-16-9-8-10-18-17(13-21)15-23-19(16)18;/h5,7-10,15H,12,14H2,1-4H3;1H/p-1/b7-5+;