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

Systemtic Name: (E)-N-ethyl-6,6-dimethyl-N-[(3-prop-1-en-2-ylphenyl)methyl]hept-2-en-4-yn-1-amine hydrochloride Openeye Name: (E)-N-ethyl-N-[(3-isopropenylphenyl)methyl]-6,6-dimethyl-hept-2-en-4-yn-1-amine hydrochloride CAS Name: (E)-N-ethyl-6,6-dimethyl-N-[[3-(1-methylethenyl)phenyl]methyl]-1-hept-2-en-4-ynamine hydrochloride IUPAC Name: (E)-N-ethyl-6,6-dimethyl-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]-ethyl-(3-isopropenylbenzyl)amine hydrochloride Formula: C21H30ClN MolecularWeight: 331.9226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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