4-butyl-1-methyl-1-(1-phenylpropan-2-yl)piperazin-1-ium bromide

Systemtic Name: 4-butyl-1-methyl-1-(1-phenylpropan-2-yl)piperazin-1-ium bromide Openeye Name: 4-butyl-1-methyl-1-(1-methyl-2-phenyl-ethyl)piperazin-1-ium bromide CAS Name: 4-butyl-1-methyl-1-(1-phenylpropan-2-yl)piperazin-1-ium bromide IUPAC Name: 4-butyl-1-methyl-1-(1-phenylpropan-2-yl)piperazin-1-ium bromide Traditional Name: 4-butyl-1-methyl-1-(1-methyl-2-phenyl-ethyl)piperazin-1-ium bromide Formula: C18H31BrN2 MolecularWeight: 355.35614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CC[N+](CC1)(C)C(C)CC2=CC=CC=C2.[Br-]

Isomeric SMILES

CCCCN1CC[N+](CC1)(C)C(C)CC2=CC=CC=C2.[Br-]

InChI

InChI=1S/C18H31N2.BrH/c1-4-5-11-19-12-14-20(3,15-13-19)17(2)16-18-9-7-6-8-10-18;/h6-10,17H,4-5,11-16H2,1-3H3;1H/q+1;/p-1