1-(phenylmethyl)-1,4-bis(1-phenylpropan-2-yl)piperazin-1-ium bromide

Systemtic Name: 1-(phenylmethyl)-1,4-bis(1-phenylpropan-2-yl)piperazin-1-ium bromide Openeye Name: 1-benzyl-1,4-bis(1-methyl-2-phenyl-ethyl)piperazin-1-ium bromide CAS Name: 1-(phenylmethyl)-1,4-bis(1-phenylpropan-2-yl)piperazin-1-ium bromide IUPAC Name: 1-benzyl-1,4-bis(1-phenylpropan-2-yl)piperazin-1-ium bromide Traditional Name: 1-benzyl-1,4-bis(1-methyl-2-phenyl-ethyl)piperazin-1-ium bromide Formula: C29H37BrN2 MolecularWeight: 493.52148

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)N2CC[N+](CC2)(CC3=CC=CC=C3)C(C)CC4=CC=CC=C4.[Br-]

Isomeric SMILES

CC(CC1=CC=CC=C1)N2CC[N+](CC2)(CC3=CC=CC=C3)C(C)CC4=CC=CC=C4.[Br-]

InChI

InChI=1S/C29H37N2.BrH/c1-25(22-27-12-6-3-7-13-27)30-18-20-31(21-19-30,24-29-16-10-5-11-17-29)26(2)23-28-14-8-4-9-15-28;/h3-17,25-26H,18-24H2,1-2H3;1H/q+1;/p-1