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

Systemtic Name: (E)-N,6,6-trimethyl-N-[(2-methyl-6-prop-1-en-2-yl-phenyl)methyl]hept-2-en-4-yn-1-amine hydrochloride Openeye Name: (E)-N-[(2-isopropenyl-6-methyl-phenyl)methyl]-N,6,6-trimethyl-hept-2-en-4-yn-1-amine hydrochloride CAS Name: (E)-N,6,6-trimethyl-N-[[2-methyl-6-(1-methylethenyl)phenyl]methyl]-1-hept-2-en-4-ynamine hydrochloride IUPAC Name: (E)-N,6,6-trimethyl-N-[(2-methyl-6-prop-1-en-2-ylphenyl)methyl]hept-2-en-4-yn-1-amine hydrochloride Traditional Name: [(E)-6,6-dimethylhept-2-en-4-ynyl]-(2-isopropenyl-6-methyl-benzyl)-methyl-amine hydrochloride Formula: C21H30ClN MolecularWeight: 331.9226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1CN(C)CC=CC#CC(C)(C)C)C(=C)C.Cl

Isomeric SMILES

CC1=CC=CC(=C1CN(C)C/C=C/C#CC(C)(C)C)C(=C)C.Cl

InChI

InChI=1S/C21H29N.ClH/c1-17(2)19-13-11-12-18(3)20(19)16-22(7)15-10-8-9-14-21(4,5)6;/h8,10-13H,1,15-16H2,2-7H3;1H/b10-8+;