(E)-N,6,6-trimethyl-N-(naphthalen-1-ylmethyl)hect-2-en-4-yn-1-amine hydrochloride

Systemtic Name: (E)-N,6,6-trimethyl-N-(naphthalen-1-ylmethyl)hect-2-en-4-yn-1-amine hydrochloride Openeye Name: (E)-N,6,6-trimethyl-N-(1-naphthylmethyl)hect-2-en-4-yn-1-amine hydrochloride CAS Name: (E)-N,6,6-trimethyl-N-(1-naphthalenylmethyl)-1-hect-2-en-4-ynamine hydrochloride IUPAC Name: (E)-N,6,6-trimethyl-N-(naphthalen-1-ylmethyl)hect-2-en-4-yn-1-amine hydrochloride Traditional Name: [(E)-6,6-dimethylhect-2-en-4-ynyl]-methyl-(1-naphthylmethyl)amine hydrochloride Formula: C114H212ClN MolecularWeight: 1632.36278

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(C)(C)C#CC=CCN(C)CC1=CC=CC2=CC=CC=C21.Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(C)(C)C#C/C=C/CN(C)CC1=CC=CC2=CC=CC=C21.Cl

InChI

InChI=1S/C114H211N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-45-46-47-48-49-50-51-52-53-54-55-56-57-58-59-60-61-62-63-64-65-66-67-68-69-70-71-72-73-74-75-76-77-78-79-80-81-82-83-84-85-86-87-88-89-90-91-92-93-94-95-99-107-114(2,3)108-100-96-101-109-115(4)110-112-105-102-104-111-103-97-98-106-113(111)112;/h96-98,101-106H,5-95,99,107,109-110H2,1-4H3;1H/b101-96+;