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

Systemtic Name: 1,6-dimethyl-1-phenethyl-3-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperazin-1-ium-2,5-dione Openeye Name: 1,6-dimethyl-1-phenethyl-3-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperazin-1-ium-2,5-dione CAS Name: 1,6-dimethyl-1-phenethyl-3-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperazin-1-ium-2,5-dione IUPAC Name: 1,6-dimethyl-1-phenethyl-3-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperazin-1-ium-2,5-dione Traditional Name: 1,6-dimethyl-1-phenethyl-3-[4-(3,4,5-trimethoxyphenyl)benzyl]piperazin-1-ium-2,5-quinone Formula: C30H35N2O5+ MolecularWeight: 503.6093

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC(C(=O)[N+]1(C)CCC2=CC=CC=C2)CC3=CC=C(C=C3)C4=CC(=C(C(=C4)OC)OC)OC

Isomeric SMILES

CC1C(=O)NC(C(=O)[N+]1(C)CCC2=CC=CC=C2)CC3=CC=C(C=C3)C4=CC(=C(C(=C4)OC)OC)OC

InChI

InChI=1S/C30H34N2O5/c1-20-29(33)31-25(30(34)32(20,2)16-15-21-9-7-6-8-10-21)17-22-11-13-23(14-12-22)24-18-26(35-3)28(37-5)27(19-24)36-4/h6-14,18-20,25H,15-17H2,1-5H3/p+1