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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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