3-[[4-(3,5-dimethoxy-4-oxidanyl-phenyl)phenyl]methyl]-1,6-dimethyl-1-octyl-piperazin-1-ium-2,5-dione

Systemtic Name: 3-[[4-(3,5-dimethoxy-4-oxidanyl-phenyl)phenyl]methyl]-1,6-dimethyl-1-octyl-piperazin-1-ium-2,5-dione Openeye Name: 3-[[4-(4-hydroxy-3,5-dimethoxy-phenyl)phenyl]methyl]-1,6-dimethyl-1-octyl-piperazin-1-ium-2,5-dione CAS Name: 3-[[4-(4-hydroxy-3,5-dimethoxyphenyl)phenyl]methyl]-1,6-dimethyl-1-octylpiperazin-1-ium-2,5-dione IUPAC Name: 3-[[4-(4-hydroxy-3,5-dimethoxyphenyl)phenyl]methyl]-1,6-dimethyl-1-octylpiperazin-1-ium-2,5-dione Traditional Name: 3-[4-(4-hydroxy-3,5-dimethoxy-phenyl)benzyl]-1,6-dimethyl-1-octyl-piperazin-1-ium-2,5-quinone Formula: C29H41N2O5+ MolecularWeight: 497.64624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H40N2O5/c1-6-7-8-9-10-11-16-31(3)20(2)28(33)30-24(29(31)34)17-21-12-14-22(15-13-21)23-18-25(35-4)27(32)26(19-23)36-5/h12-15,18-20,24H,6-11,16-17H2,1-5H3,(H-,30,32,33)/p+1