4-[3-(4-tert-butylphenyl)-2-methyl-propyl]-1-methyl-1-(phenylmethyl)piperazin-1-ium bromide

Systemtic Name: 4-[3-(4-tert-butylphenyl)-2-methyl-propyl]-1-methyl-1-(phenylmethyl)piperazin-1-ium bromide Openeye Name: 1-benzyl-4-[3-(4-tert-butylphenyl)-2-methyl-propyl]-1-methyl-piperazin-1-ium bromide CAS Name: 4-[3-(4-tert-butylphenyl)-2-methylpropyl]-1-methyl-1-(phenylmethyl)piperazin-1-ium bromide IUPAC Name: 1-benzyl-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-1-methylpiperazin-1-ium bromide Traditional Name: 1-benzyl-4-[3-(4-tert-butylphenyl)-2-methyl-propyl]-1-methyl-piperazin-1-ium bromide Formula: C26H39BrN2 MolecularWeight: 459.50526

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)C(C)(C)C)CN2CC[N+](CC2)(C)CC3=CC=CC=C3.[Br-]

Isomeric SMILES

CC(CC1=CC=C(C=C1)C(C)(C)C)CN2CC[N+](CC2)(C)CC3=CC=CC=C3.[Br-]

InChI

InChI=1S/C26H39N2.BrH/c1-22(19-23-11-13-25(14-12-23)26(2,3)4)20-27-15-17-28(5,18-16-27)21-24-9-7-6-8-10-24;/h6-14,22H,15-21H2,1-5H3;1H/q+1;/p-1