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

Systemtic Name: (E)-6,6-dimethyl-N-[(3-phenylmethoxyphenyl)methyl]-N-propan-2-yl-hept-2-en-4-yn-1-amine hydrochloride Openeye Name: (E)-N-[(3-benzyloxyphenyl)methyl]-N-isopropyl-6,6-dimethyl-hept-2-en-4-yn-1-amine hydrochloride CAS Name: (E)-6,6-dimethyl-N-[(3-phenylmethoxyphenyl)methyl]-N-propan-2-yl-1-hept-2-en-4-ynamine hydrochloride IUPAC Name: (E)-6,6-dimethyl-N-[(3-phenylmethoxyphenyl)methyl]-N-propan-2-ylhept-2-en-4-yn-1-amine hydrochloride Traditional Name: (3-benzoxybenzyl)-[(E)-6,6-dimethylhept-2-en-4-ynyl]-isopropyl-amine hydrochloride Formula: C26H34ClNO MolecularWeight: 412.00726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33NO.ClH/c1-22(2)27(18-11-7-10-17-26(3,4)5)20-24-15-12-16-25(19-24)28-21-23-13-8-6-9-14-23;/h6-9,11-16,19,22H,18,20-21H2,1-5H3;1H/b11-7+;