1-(3,4-dichlorophenyl)ethanone; (E)-N,6,6-trimethylhept-2-en-4-yn-1-amine

Systemtic Name: 1-(3,4-dichlorophenyl)ethanone; (E)-N,6,6-trimethylhept-2-en-4-yn-1-amine Openeye Name: 1-(3,4-dichlorophenyl)ethanone; (E)-N,6,6-trimethylhept-2-en-4-yn-1-amine CAS Name: 1-(3,4-dichlorophenyl)ethanone; (E)-N,6,6-trimethyl-1-hept-2-en-4-ynamine IUPAC Name: 1-(3,4-dichlorophenyl)ethanone; (E)-N,6,6-trimethylhept-2-en-4-yn-1-amine Traditional Name: 1-(3,4-dichlorophenyl)ethanone; [(E)-6,6-dimethylhept-2-en-4-ynyl]-methyl-amine Formula: C18H23Cl2NO MolecularWeight: 340.28732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)Cl)Cl.CC(C)(C)C#CC=CCNC

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)Cl)Cl.CC(C)(C)C#C/C=C/CNC

InChI

InChI=1S/C10H17N.C8H6Cl2O/c1-10(2,3)8-6-5-7-9-11-4;1-5(11)6-2-3-7(9)8(10)4-6/h5,7,11H,9H2,1-4H3;2-4H,1H3/b7-5+;