(E)-N-ethyl-6,6-dimethyl-N-[5-(3-thiophen-3-ylphenoxy)pentyl]hept-2-en-4-yn-1-amine hydrochloride

Systemtic Name: (E)-N-ethyl-6,6-dimethyl-N-[5-(3-thiophen-3-ylphenoxy)pentyl]hept-2-en-4-yn-1-amine hydrochloride Openeye Name: (E)-N-ethyl-6,6-dimethyl-N-[5-[3-(3-thienyl)phenoxy]pentyl]hept-2-en-4-yn-1-amine hydrochloride CAS Name: (E)-N-ethyl-6,6-dimethyl-N-[5-[3-(3-thiophenyl)phenoxy]pentyl]-1-hept-2-en-4-ynamine hydrochloride IUPAC Name: (E)-N-ethyl-6,6-dimethyl-N-[5-(3-thiophen-3-ylphenoxy)pentyl]hept-2-en-4-yn-1-amine hydrochloride Traditional Name: [(E)-6,6-dimethylhept-2-en-4-ynyl]-ethyl-[5-[3-(3-thienyl)phenoxy]pentyl]amine hydrochloride Formula: C26H36ClNOS MolecularWeight: 446.08814

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCCCOC1=CC=CC(=C1)C2=CSC=C2)CC=CC#CC(C)(C)C.Cl

Isomeric SMILES

CCN(CCCCCOC1=CC=CC(=C1)C2=CSC=C2)C/C=C/C#CC(C)(C)C.Cl

InChI

InChI=1S/C26H35NOS.ClH/c1-5-27(17-9-6-8-16-26(2,3)4)18-10-7-11-19-28-25-14-12-13-23(21-25)24-15-20-29-22-24;/h6,9,12-15,20-22H,5,7,10-11,17-19H2,1-4H3;1H/b9-6+;