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

Systemtic Name: (E)-N-[(3-but-1-en-2-ylphenyl)methyl]-N,6,6-trimethyl-hept-2-en-4-yn-1-amine hydrochloride Openeye Name: (E)-N,6,6-trimethyl-N-[[3-(1-methylenepropyl)phenyl]methyl]hept-2-en-4-yn-1-amine hydrochloride CAS Name: (E)-N-[(3-but-1-en-2-ylphenyl)methyl]-N,6,6-trimethyl-1-hept-2-en-4-ynamine hydrochloride IUPAC Name: (E)-N-[(3-but-1-en-2-ylphenyl)methyl]-N,6,6-trimethylhept-2-en-4-yn-1-amine hydrochloride Traditional Name: [(E)-6,6-dimethylhept-2-en-4-ynyl]-[3-(1-ethylvinyl)benzyl]-methyl-amine hydrochloride Formula: C21H30ClN MolecularWeight: 331.9226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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