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

Systemtic Name: 1,6-dimethyl-3-octyl-1-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperazin-1-ium-2,5-dione Openeye Name: 1,6-dimethyl-3-octyl-1-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperazin-1-ium-2,5-dione CAS Name: 1,6-dimethyl-3-octyl-1-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperazin-1-ium-2,5-dione IUPAC Name: 1,6-dimethyl-3-octyl-1-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperazin-1-ium-2,5-dione Traditional Name: 1,6-dimethyl-3-octyl-1-[4-(3,4,5-trimethoxyphenyl)benzyl]piperazin-1-ium-2,5-quinone Formula: C30H43N2O5+ MolecularWeight: 511.67282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H42N2O5/c1-7-8-9-10-11-12-13-25-30(34)32(3,21(2)29(33)31-25)20-22-14-16-23(17-15-22)24-18-26(35-4)28(37-6)27(19-24)36-5/h14-19,21,25H,7-13,20H2,1-6H3/p+1