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1-[4-methyl-4-(phenylmethyl)piperazin-4-ium-1-yl]icosan-1-one

1-[4-methyl-4-(phenylmethyl)piperazin-4-ium-1-yl]icosan-1-one

Systemtic Name:1-[4-methyl-4-(phenylmethyl)piperazin-4-ium-1-yl]icosan-1-one
Openeye Name:1-(4-benzyl-4-methyl-piperazin-4-ium-1-yl)icosan-1-one
CAS Name:1-[4-methyl-4-(phenylmethyl)-1-piperazin-4-iumyl]-1-eicosanone
IUPAC Name:1-(4-benzyl-4-methylpiperazin-4-ium-1-yl)icosan-1-one
Traditional Name:1-(4-benzyl-4-methyl-piperazin-4-ium-1-yl)eicosan-1-one
Formula: C32H57N2O+
MolecularWeight: 485.80778
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC(=O)N1CC[N+](CC1)(C)CC2=CC=CC=C2


Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC(=O)N1CC[N+](CC1)(C)CC2=CC=CC=C2


InChI

InChI=1S/C32H57N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-32(35)33-26-28-34(2,29-27-33)30-31-23-20-19-21-24-31/h19-21,23-24H,3-18,22,25-30H2,1-2H3/q+1


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