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

Systemtic Name: 3-[[4-(3,5-dimethoxyphenyl)phenyl]methyl]-1,6-dimethyl-1-octyl-piperazin-1-ium-2,5-dione Openeye Name: 3-[[4-(3,5-dimethoxyphenyl)phenyl]methyl]-1,6-dimethyl-1-octyl-piperazin-1-ium-2,5-dione CAS Name: 3-[[4-(3,5-dimethoxyphenyl)phenyl]methyl]-1,6-dimethyl-1-octylpiperazin-1-ium-2,5-dione IUPAC Name: 3-[[4-(3,5-dimethoxyphenyl)phenyl]methyl]-1,6-dimethyl-1-octylpiperazin-1-ium-2,5-dione Traditional Name: 3-[4-(3,5-dimethoxyphenyl)benzyl]-1,6-dimethyl-1-octyl-piperazin-1-ium-2,5-quinone Formula: C29H41N2O4+ MolecularWeight: 481.64684

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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(=CC(=C3)OC)OC)C)C

Isomeric SMILES

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

InChI

InChI=1S/C29H40N2O4/c1-6-7-8-9-10-11-16-31(3)21(2)28(32)30-27(29(31)33)17-22-12-14-23(15-13-22)24-18-25(34-4)20-26(19-24)35-5/h12-15,18-21,27H,6-11,16-17H2,1-5H3/p+1