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

Systemtic Name: 1,6-dimethyl-1-(4-phenylbutyl)-3-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperazin-1-ium-2,5-dione Openeye Name: 1,6-dimethyl-1-(4-phenylbutyl)-3-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperazin-1-ium-2,5-dione CAS Name: 1,6-dimethyl-1-(4-phenylbutyl)-3-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperazin-1-ium-2,5-dione IUPAC Name: 1,6-dimethyl-1-(4-phenylbutyl)-3-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperazin-1-ium-2,5-dione Traditional Name: 1,6-dimethyl-1-(4-phenylbutyl)-3-[4-(3,4,5-trimethoxyphenyl)benzyl]piperazin-1-ium-2,5-quinone Formula: C32H39N2O5+ MolecularWeight: 531.66246

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC(C(=O)[N+]1(C)CCCCC2=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)CCCCC2=CC=CC=C2)CC3=CC=C(C=C3)C4=CC(=C(C(=C4)OC)OC)OC

InChI

InChI=1S/C32H38N2O5/c1-22-31(35)33-27(32(36)34(22,2)18-10-9-13-23-11-7-6-8-12-23)19-24-14-16-25(17-15-24)26-20-28(37-3)30(39-5)29(21-26)38-4/h6-8,11-12,14-17,20-22,27H,9-10,13,18-19H2,1-5H3/p+1