1,1-bis(3-phenylprop-2-ynyl)piperidin-1-ium bromide

Systemtic Name: 1,1-bis(3-phenylprop-2-ynyl)piperidin-1-ium bromide Openeye Name: 1,1-bis(3-phenylprop-2-ynyl)piperidin-1-ium bromide CAS Name: 1,1-bis(3-phenylprop-2-ynyl)piperidin-1-ium bromide IUPAC Name: 1,1-bis(3-phenylprop-2-ynyl)piperidin-1-ium bromide Traditional Name: 1,1-bis(3-phenylprop-2-ynyl)piperidin-1-ium bromide Formula: C23H24BrN MolecularWeight: 394.34736

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](CC1)(CC#CC2=CC=CC=C2)CC#CC3=CC=CC=C3.[Br-]

Isomeric SMILES

C1CC[N+](CC1)(CC#CC2=CC=CC=C2)CC#CC3=CC=CC=C3.[Br-]

InChI

InChI=1S/C23H24N.BrH/c1-4-12-22(13-5-1)16-10-20-24(18-8-3-9-19-24)21-11-17-23-14-6-2-7-15-23;/h1-2,4-7,12-15H,3,8-9,18-21H2;1H/q+1;/p-1