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

Systemtic Name: 1-hexyl-1,6-dimethyl-3-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperazin-1-ium-2,5-dione Openeye Name: 1-hexyl-1,6-dimethyl-3-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperazin-1-ium-2,5-dione CAS Name: 1-hexyl-1,6-dimethyl-3-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperazin-1-ium-2,5-dione IUPAC Name: 1-hexyl-1,6-dimethyl-3-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperazin-1-ium-2,5-dione Traditional Name: 1-hexyl-1,6-dimethyl-3-[4-(3,4,5-trimethoxyphenyl)benzyl]piperazin-1-ium-2,5-quinone Formula: C28H39N2O5+ MolecularWeight: 483.61966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H38N2O5/c1-7-8-9-10-15-30(3)19(2)27(31)29-23(28(30)32)16-20-11-13-21(14-12-20)22-17-24(33-4)26(35-6)25(18-22)34-5/h11-14,17-19,23H,7-10,15-16H2,1-6H3/p+1