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

Systemtic Name: 1,1-bis(3-phenylprop-2-ynyl)pyrrolidin-1-ium bromide Openeye Name: 1,1-bis(3-phenylprop-2-ynyl)pyrrolidin-1-ium bromide CAS Name: 1,1-bis(3-phenylprop-2-ynyl)pyrrolidin-1-ium bromide IUPAC Name: 1,1-bis(3-phenylprop-2-ynyl)pyrrolidin-1-ium bromide Traditional Name: 1,1-bis(3-phenylprop-2-ynyl)pyrrolidin-1-ium bromide Formula: C22H22BrN MolecularWeight: 380.32078

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](C1)(CC#CC2=CC=CC=C2)CC#CC3=CC=CC=C3.[Br-]

Isomeric SMILES

C1CC[N+](C1)(CC#CC2=CC=CC=C2)CC#CC3=CC=CC=C3.[Br-]

InChI

InChI=1S/C22H22N.BrH/c1-3-11-21(12-4-1)15-9-19-23(17-7-8-18-23)20-10-16-22-13-5-2-6-14-22;/h1-6,11-14H,7-8,17-20H2;1H/q+1;/p-1