1-cyclohexyl-1,4-dimethyl-4-(1-phenylpropan-2-yl)piperazine-1,4-diium dibromide

Systemtic Name: 1-cyclohexyl-1,4-dimethyl-4-(1-phenylpropan-2-yl)piperazine-1,4-diium dibromide Openeye Name: 1-cyclohexyl-1,4-dimethyl-4-(1-methyl-2-phenyl-ethyl)piperazine-1,4-diium dibromide CAS Name: 1-cyclohexyl-1,4-dimethyl-4-(1-phenylpropan-2-yl)piperazine-1,4-diium dibromide IUPAC Name: 1-cyclohexyl-1,4-dimethyl-4-(1-phenylpropan-2-yl)piperazine-1,4-diium dibromide Traditional Name: 1-cyclohexyl-1,4-dimethyl-4-(1-methyl-2-phenyl-ethyl)piperazine-1,4-diium dibromide Formula: C42H72Br2N4+2 MolecularWeight: 792.85588

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)[N+]2(CC[N+](CC2)(C)C3CCCCC3)C.CC(CC1=CC=CC=C1)[N+]2(CC[N+](CC2)(C)C3CCCCC3)C.[Br-].[Br-]

Isomeric SMILES

CC(CC1=CC=CC=C1)[N+]2(CC[N+](CC2)(C)C3CCCCC3)C.CC(CC1=CC=CC=C1)[N+]2(CC[N+](CC2)(C)C3CCCCC3)C.[Br-].[Br-]

InChI

InChI=1S/2C21H36N2.2BrH/c2*1-19(18-20-10-6-4-7-11-20)22(2)14-16-23(3,17-15-22)21-12-8-5-9-13-21;;/h2*4,6-7,10-11,19,21H,5,8-9,12-18H2,1-3H3;2*1H/q2*+2;;/p-2