dibutyl-[(3R)-1-phenylhex-5-en-1-yn-3-yl]azanium

Systemtic Name: dibutyl-[(3R)-1-phenylhex-5-en-1-yn-3-yl]azanium Openeye Name: dibutyl-[(1R)-1-(2-phenylethynyl)but-3-enyl]ammonium CAS Name: dibutyl-[(3R)-1-phenylhex-5-en-1-yn-3-yl]ammonium IUPAC Name: dibutyl-[(3R)-1-phenylhex-5-en-1-yn-3-yl]azanium Traditional Name: dibutyl-[(1R)-1-(2-phenylethynyl)but-3-enyl]ammonium Formula: C20H30N+ MolecularWeight: 284.4589

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CCCC)C(CC=C)C#CC1=CC=CC=C1

Isomeric SMILES

CCCC[NH+](CCCC)[C@H](CC=C)C#CC1=CC=CC=C1

InChI

InChI=1S/C20H29N/c1-4-7-17-21(18-8-5-2)20(12-6-3)16-15-19-13-10-9-11-14-19/h6,9-11,13-14,20H,3-5,7-8,12,17-18H2,1-2H3/p+1/t20-/m1/s1