(E)-N,6,6-trimethyl-N-[(3-methyl-5-phenylmethoxy-phenyl)methyl]hept-2-en-4-yn-1-amine hydrochloride

Systemtic Name: (E)-N,6,6-trimethyl-N-[(3-methyl-5-phenylmethoxy-phenyl)methyl]hept-2-en-4-yn-1-amine hydrochloride Openeye Name: (E)-N-[(3-benzyloxy-5-methyl-phenyl)methyl]-N,6,6-trimethyl-hept-2-en-4-yn-1-amine hydrochloride CAS Name: (E)-N,6,6-trimethyl-N-[(3-methyl-5-phenylmethoxyphenyl)methyl]-1-hept-2-en-4-ynamine hydrochloride IUPAC Name: (E)-N,6,6-trimethyl-N-[(3-methyl-5-phenylmethoxyphenyl)methyl]hept-2-en-4-yn-1-amine hydrochloride Traditional Name: (3-benzoxy-5-methyl-benzyl)-[(E)-6,6-dimethylhept-2-en-4-ynyl]-methyl-amine hydrochloride Formula: C25H32ClNO MolecularWeight: 397.98068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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