4-(diphenylmethyl)-1,1-bis[(E)-3-phenylprop-2-enyl]piperazin-1-ium bromide

Systemtic Name: 4-(diphenylmethyl)-1,1-bis[(E)-3-phenylprop-2-enyl]piperazin-1-ium bromide Openeye Name: 4-benzhydryl-1,1-bis[(E)-cinnamyl]piperazin-1-ium bromide CAS Name: 4-(diphenylmethyl)-1,1-bis[(E)-3-phenylprop-2-enyl]piperazin-1-ium bromide IUPAC Name: 4-benzhydryl-1,1-bis[(E)-3-phenylprop-2-enyl]piperazin-1-ium bromide Traditional Name: 4-benzhydryl-1,1-bis[(E)-cinnamyl]piperazin-1-ium bromide Formula: C35H37BrN2 MolecularWeight: 565.58568

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)(CC=CC4=CC=CC=C4)CC=CC5=CC=CC=C5.[Br-]

Isomeric SMILES

C1N(CC[N+](C1)(C/C=C/C2=CC=CC=C2)C/C=C/C3=CC=CC=C3)C(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

InChI

InChI=1S/C35H37N2.BrH/c1-5-15-31(16-6-1)19-13-27-37(28-14-20-32-17-7-2-8-18-32)29-25-36(26-30-37)35(33-21-9-3-10-22-33)34-23-11-4-12-24-34;/h1-24,35H,25-30H2;1H/q+1;/p-1/b19-13+,20-14+;