1-[(Z)-4-(4-chlorophenyl)-3-phenyl-but-2-enyl]pyrrolidin-1-ium bromide

Systemtic Name: 1-[(Z)-4-(4-chlorophenyl)-3-phenyl-but-2-enyl]pyrrolidin-1-ium bromide Openeye Name: 1-[(Z)-4-(4-chlorophenyl)-3-phenyl-but-2-enyl]pyrrolidin-1-ium bromide CAS Name: 1-[(Z)-4-(4-chlorophenyl)-3-phenylbut-2-enyl]pyrrolidin-1-ium bromide IUPAC Name: 1-[(Z)-4-(4-chlorophenyl)-3-phenylbut-2-enyl]pyrrolidin-1-ium bromide Traditional Name: 1-[(Z)-4-(4-chlorophenyl)-3-phenyl-but-2-enyl]pyrrolidin-1-ium bromide Formula: C20H23BrClN MolecularWeight: 392.76032

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC=C(CC2=CC=C(C=C2)Cl)C3=CC=CC=C3.[Br-]

Isomeric SMILES

C1CC[NH+](C1)C/C=C(/CC2=CC=C(C=C2)Cl)\C3=CC=CC=C3.[Br-]

InChI

InChI=1S/C20H22ClN.BrH/c21-20-10-8-17(9-11-20)16-19(18-6-2-1-3-7-18)12-15-22-13-4-5-14-22;/h1-3,6-12H,4-5,13-16H2;1H/b19-12-;