(3E)-1,1-dimethyl-3-(phenylmethylidene)pyrrolidin-1-ium bromide

Systemtic Name: (3E)-1,1-dimethyl-3-(phenylmethylidene)pyrrolidin-1-ium bromide Openeye Name: (3E)-3-benzylidene-1,1-dimethyl-pyrrolidin-1-ium bromide CAS Name: (3E)-1,1-dimethyl-3-(phenylmethylene)pyrrolidin-1-ium bromide IUPAC Name: (3E)-3-benzylidene-1,1-dimethylpyrrolidin-1-ium bromide Traditional Name: (3E)-3-benzal-1,1-dimethyl-pyrrolidin-1-ium bromide Formula: C13H18BrN MolecularWeight: 268.19272

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(=CC2=CC=CC=C2)C1)C.[Br-]

Isomeric SMILES

C[N+]1(CC/C(=C\C2=CC=CC=C2)/C1)C.[Br-]

InChI

InChI=1S/C13H18N.BrH/c1-14(2)9-8-13(11-14)10-12-6-4-3-5-7-12;/h3-7,10H,8-9,11H2,1-2H3;1H/q+1;/p-1/b13-10+;