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

Systemtic Name: (E)-N,6,6-trimethyl-N-[(3-prop-1-en-2-ylphenyl)methyl]hept-2-en-4-yn-1-amine hydrochloride Openeye Name: (E)-N-[(3-isopropenylphenyl)methyl]-N,6,6-trimethyl-hept-2-en-4-yn-1-amine hydrochloride CAS Name: (E)-N,6,6-trimethyl-N-[[3-(1-methylethenyl)phenyl]methyl]-1-hept-2-en-4-ynamine hydrochloride IUPAC Name: (E)-N,6,6-trimethyl-N-[(3-prop-1-en-2-ylphenyl)methyl]hept-2-en-4-yn-1-amine hydrochloride Traditional Name: [(E)-6,6-dimethylhept-2-en-4-ynyl]-(3-isopropenylbenzyl)-methyl-amine hydrochloride Formula: C20H28ClN MolecularWeight: 317.89602

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1=CC(=CC=C1)CN(C)CC=CC#CC(C)(C)C.Cl

Isomeric SMILES

CC(=C)C1=CC(=CC=C1)CN(C)C/C=C/C#CC(C)(C)C.Cl

InChI

InChI=1S/C20H27N.ClH/c1-17(2)19-12-10-11-18(15-19)16-21(6)14-9-7-8-13-20(3,4)5;/h7,9-12,15H,1,14,16H2,2-6H3;1H/b9-7+;