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

Systemtic Name: 1-methyl-3-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]-1-undecyl-piperazin-1-ium-2,5-dione Openeye Name: 1-methyl-3-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]-1-undecyl-piperazin-1-ium-2,5-dione CAS Name: 1-methyl-3-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]-1-undecylpiperazin-1-ium-2,5-dione IUPAC Name: 1-methyl-3-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]-1-undecylpiperazin-1-ium-2,5-dione Traditional Name: 1-methyl-3-[4-(3,4,5-trimethoxyphenyl)benzyl]-1-undecyl-piperazin-1-ium-2,5-quinone Formula: C32H47N2O5+ MolecularWeight: 539.72598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H46N2O5/c1-6-7-8-9-10-11-12-13-14-19-34(2)23-30(35)33-27(32(34)36)20-24-15-17-25(18-16-24)26-21-28(37-3)31(39-5)29(22-26)38-4/h15-18,21-22,27H,6-14,19-20,23H2,1-5H3/p+1