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

Systemtic Name: 1-methyl-3-octyl-1-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperazin-1-ium-2,5-dione Openeye Name: 1-methyl-3-octyl-1-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperazin-1-ium-2,5-dione CAS Name: 1-methyl-3-octyl-1-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperazin-1-ium-2,5-dione IUPAC Name: 1-methyl-3-octyl-1-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperazin-1-ium-2,5-dione Traditional Name: 1-methyl-3-octyl-1-[4-(3,4,5-trimethoxyphenyl)benzyl]piperazin-1-ium-2,5-quinone Formula: C29H41N2O5+ MolecularWeight: 497.64624

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1C(=O)[N+](CC(=O)N1)(C)CC2=CC=C(C=C2)C3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CCCCCCCCC1C(=O)[N+](CC(=O)N1)(C)CC2=CC=C(C=C2)C3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C29H40N2O5/c1-6-7-8-9-10-11-12-24-29(33)31(2,20-27(32)30-24)19-21-13-15-22(16-14-21)23-17-25(34-3)28(36-5)26(18-23)35-4/h13-18,24H,6-12,19-20H2,1-5H3/p+1