1-[(3R)-1-phenylhex-5-en-1-yn-3-yl]piperidin-1-ium

Systemtic Name: 1-[(3R)-1-phenylhex-5-en-1-yn-3-yl]piperidin-1-ium Openeye Name: 1-[(1R)-1-(2-phenylethynyl)but-3-enyl]piperidin-1-ium CAS Name: 1-[(3R)-1-phenylhex-5-en-1-yn-3-yl]piperidin-1-ium IUPAC Name: 1-[(3R)-1-phenylhex-5-en-1-yn-3-yl]piperidin-1-ium Traditional Name: 1-[(1R)-1-(2-phenylethynyl)but-3-enyl]piperidin-1-ium Formula: C17H22N+ MolecularWeight: 240.36328

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(C#CC1=CC=CC=C1)[NH+]2CCCCC2

Isomeric SMILES

C=CC[C@H](C#CC1=CC=CC=C1)[NH+]2CCCCC2

InChI

InChI=1S/C17H21N/c1-2-9-17(18-14-7-4-8-15-18)13-12-16-10-5-3-6-11-16/h2-3,5-6,10-11,17H,1,4,7-9,14-15H2/p+1/t17-/m1/s1