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1-methyl-1-phenethyl-3-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperazin-1-ium-2,5-dione

1-methyl-1-phenethyl-3-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperazin-1-ium-2,5-dione

Systemtic Name:1-methyl-1-phenethyl-3-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperazin-1-ium-2,5-dione
Openeye Name:1-methyl-1-phenethyl-3-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperazin-1-ium-2,5-dione
CAS Name:1-methyl-1-phenethyl-3-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperazin-1-ium-2,5-dione
IUPAC Name:1-methyl-1-phenethyl-3-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperazin-1-ium-2,5-dione
Traditional Name:1-methyl-1-phenethyl-3-[4-(3,4,5-trimethoxyphenyl)benzyl]piperazin-1-ium-2,5-quinone
Formula: C29H33N2O5+
MolecularWeight: 489.58272
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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CC(=O)NC(C1=O)CC2=CC=C(C=C2)C3=CC(=C(C(=C3)OC)OC)OC)CCC4=CC=CC=C4


Isomeric SMILES

C[N+]1(CC(=O)NC(C1=O)CC2=CC=C(C=C2)C3=CC(=C(C(=C3)OC)OC)OC)CCC4=CC=CC=C4


InChI

InChI=1S/C29H32N2O5/c1-31(15-14-20-8-6-5-7-9-20)19-27(32)30-24(29(31)33)16-21-10-12-22(13-11-21)23-17-25(34-2)28(36-4)26(18-23)35-3/h5-13,17-18,24H,14-16,19H2,1-4H3/p+1


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