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

Systemtic Name: 3-[[4-(3,4-dimethoxyphenyl)phenyl]methyl]-1-methyl-1-octyl-piperazin-1-ium-2,5-dione Openeye Name: 3-[[4-(3,4-dimethoxyphenyl)phenyl]methyl]-1-methyl-1-octyl-piperazin-1-ium-2,5-dione CAS Name: 3-[[4-(3,4-dimethoxyphenyl)phenyl]methyl]-1-methyl-1-octylpiperazin-1-ium-2,5-dione IUPAC Name: 3-[[4-(3,4-dimethoxyphenyl)phenyl]methyl]-1-methyl-1-octylpiperazin-1-ium-2,5-dione Traditional Name: 3-[4-(3,4-dimethoxyphenyl)benzyl]-1-methyl-1-octyl-piperazin-1-ium-2,5-quinone Formula: C28H39N2O4+ MolecularWeight: 467.62026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H38N2O4/c1-5-6-7-8-9-10-17-30(2)20-27(31)29-24(28(30)32)18-21-11-13-22(14-12-21)23-15-16-25(33-3)26(19-23)34-4/h11-16,19,24H,5-10,17-18,20H2,1-4H3/p+1