3-[3-(1-ethoxyethoxy)phenyl]thiophene; (E)-N-ethyl-6-methoxy-6-methyl-hept-2-en-4-yn-1-amine; hydrochloride

Systemtic Name: 3-[3-(1-ethoxyethoxy)phenyl]thiophene; (E)-N-ethyl-6-methoxy-6-methyl-hept-2-en-4-yn-1-amine; hydrochloride Openeye Name: 3-[3-(1-ethoxyethoxy)phenyl]thiophene; (E)-N-ethyl-6-methoxy-6-methyl-hept-2-en-4-yn-1-amine; hydrochloride CAS Name: 3-[3-(1-ethoxyethoxy)phenyl]thiophene; (E)-N-ethyl-6-methoxy-6-methyl-1-hept-2-en-4-ynamine; hydrochloride IUPAC Name: 3-[3-(1-ethoxyethoxy)phenyl]thiophene; (E)-N-ethyl-6-methoxy-6-methylhept-2-en-4-yn-1-amine; hydrochloride Traditional Name: 3-[3-(1-ethoxyethoxy)phenyl]thiophene; ethyl-[(E)-6-methoxy-6-methyl-hept-2-en-4-ynyl]amine; hydrochloride Formula: C25H36ClNO3S MolecularWeight: 466.07624

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC=CC#CC(C)(C)OC.CCOC(C)OC1=CC=CC(=C1)C2=CSC=C2.Cl

Isomeric SMILES

CCNC/C=C/C#CC(C)(C)OC.CCOC(C)OC1=CC=CC(=C1)C2=CSC=C2.Cl

InChI

InChI=1S/C14H16O2S.C11H19NO.ClH/c1-3-15-11(2)16-14-6-4-5-12(9-14)13-7-8-17-10-13;1-5-12-10-8-6-7-9-11(2,3)13-4;/h4-11H,3H2,1-2H3;6,8,12H,5,10H2,1-4H3;1H/b;8-6+;