(E)-N-ethyl-6,6-dimethyl-N-[(3-phenylmethoxyphenyl)methyl]hept-2-en-4-yn-1-amine hydrochloride

Systemtic Name: (E)-N-ethyl-6,6-dimethyl-N-[(3-phenylmethoxyphenyl)methyl]hept-2-en-4-yn-1-amine hydrochloride Openeye Name: (E)-N-[(3-benzyloxyphenyl)methyl]-N-ethyl-6,6-dimethyl-hept-2-en-4-yn-1-amine hydrochloride CAS Name: (E)-N-ethyl-6,6-dimethyl-N-[(3-phenylmethoxyphenyl)methyl]-1-hept-2-en-4-ynamine hydrochloride IUPAC Name: (E)-N-ethyl-6,6-dimethyl-N-[(3-phenylmethoxyphenyl)methyl]hept-2-en-4-yn-1-amine hydrochloride Traditional Name: (3-benzoxybenzyl)-[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethyl-amine hydrochloride Formula: C25H32ClNO MolecularWeight: 397.98068

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC=CC#CC(C)(C)C)CC1=CC(=CC=C1)OCC2=CC=CC=C2.Cl

Isomeric SMILES

CCN(C/C=C/C#CC(C)(C)C)CC1=CC(=CC=C1)OCC2=CC=CC=C2.Cl

InChI

InChI=1S/C25H31NO.ClH/c1-5-26(18-11-7-10-17-25(2,3)4)20-23-15-12-16-24(19-23)27-21-22-13-8-6-9-14-22;/h6-9,11-16,19H,5,18,20-21H2,1-4H3;1H/b11-7+;