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

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

Systemtic Name:1-[4-methyl-4-(phenylmethyl)piperazin-4-ium-1-yl]docosan-1-one
Openeye Name:1-(4-benzyl-4-methyl-piperazin-4-ium-1-yl)docosan-1-one
CAS Name:1-[4-methyl-4-(phenylmethyl)-1-piperazin-4-iumyl]-1-docosanone
IUPAC Name:1-(4-benzyl-4-methylpiperazin-4-ium-1-yl)docosan-1-one
Traditional Name:1-(4-benzyl-4-methyl-piperazin-4-ium-1-yl)docosan-1-one
Formula: C34H61N2O+
MolecularWeight: 513.86094
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C34H61N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-27-34(37)35-28-30-36(2,31-29-35)32-33-25-22-21-23-26-33/h21-23,25-26H,3-20,24,27-32H2,1-2H3/q+1


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