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

Systemtic Name: 1,6-dimethyl-1-nonyl-3-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperazin-1-ium-2,5-dione Openeye Name: 1,6-dimethyl-1-nonyl-3-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperazin-1-ium-2,5-dione CAS Name: 1,6-dimethyl-1-nonyl-3-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperazin-1-ium-2,5-dione IUPAC Name: 1,6-dimethyl-1-nonyl-3-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperazin-1-ium-2,5-dione Traditional Name: 1,6-dimethyl-1-nonyl-3-[4-(3,4,5-trimethoxyphenyl)benzyl]piperazin-1-ium-2,5-quinone Formula: C31H45N2O5+ MolecularWeight: 525.6994

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC[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

CCCCCCCCC[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/C31H44N2O5/c1-7-8-9-10-11-12-13-18-33(3)22(2)30(34)32-26(31(33)35)19-23-14-16-24(17-15-23)25-20-27(36-4)29(38-6)28(21-25)37-5/h14-17,20-22,26H,7-13,18-19H2,1-6H3/p+1