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

Systemtic Name: 1-decyl-1-methyl-3-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperazin-1-ium-2,5-dione Openeye Name: 1-decyl-1-methyl-3-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperazin-1-ium-2,5-dione CAS Name: 1-decyl-1-methyl-3-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperazin-1-ium-2,5-dione IUPAC Name: 1-decyl-1-methyl-3-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperazin-1-ium-2,5-dione Traditional Name: 1-decyl-1-methyl-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:

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

Isomeric SMILES

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

InChI

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