(E)-N,6,6-trimethyl-N-[(3-methylsulfanyl-1-benzothiophen-7-yl)methyl]hept-2-en-4-yn-1-amine hydrochloride

Systemtic Name: (E)-N,6,6-trimethyl-N-[(3-methylsulfanyl-1-benzothiophen-7-yl)methyl]hept-2-en-4-yn-1-amine hydrochloride Openeye Name: (E)-N,6,6-trimethyl-N-[(3-methylsulfanylbenzothiophen-7-yl)methyl]hept-2-en-4-yn-1-amine hydrochloride CAS Name: (E)-N,6,6-trimethyl-N-[[3-(methylthio)-1-benzothiophen-7-yl]methyl]-1-hept-2-en-4-ynamine hydrochloride IUPAC Name: (E)-N,6,6-trimethyl-N-[(3-methylsulfanyl-1-benzothiophen-7-yl)methyl]hept-2-en-4-yn-1-amine hydrochloride Traditional Name: [(E)-6,6-dimethylhept-2-en-4-ynyl]-methyl-[[3-(methylthio)benzothiophen-7-yl]methyl]amine hydrochloride Formula: C20H26ClNS2 MolecularWeight: 380.01014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C#CC=CCN(C)CC1=CC=CC2=C1SC=C2SC.Cl

Isomeric SMILES

CC(C)(C)C#C/C=C/CN(C)CC1=CC=CC2=C1SC=C2SC.Cl

InChI

InChI=1S/C20H25NS2.ClH/c1-20(2,3)12-7-6-8-13-21(4)14-16-10-9-11-17-18(22-5)15-23-19(16)17;/h6,8-11,15H,13-14H2,1-5H3;1H/b8-6+;