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

Systemtic Name: 1-butyl-6-methyl-1-octyl-3-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperazin-1-ium-2,5-dione Openeye Name: 1-butyl-6-methyl-1-octyl-3-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperazin-1-ium-2,5-dione CAS Name: 1-butyl-6-methyl-1-octyl-3-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperazin-1-ium-2,5-dione IUPAC Name: 1-butyl-6-methyl-1-octyl-3-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperazin-1-ium-2,5-dione Traditional Name: 1-butyl-6-methyl-1-octyl-3-[4-(3,4,5-trimethoxyphenyl)benzyl]piperazin-1-ium-2,5-quinone Formula: C33H49N2O5+ MolecularWeight: 553.75256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H48N2O5/c1-7-9-11-12-13-14-20-35(19-10-8-2)24(3)32(36)34-28(33(35)37)21-25-15-17-26(18-16-25)27-22-29(38-4)31(40-6)30(23-27)39-5/h15-18,22-24,28H,7-14,19-21H2,1-6H3/p+1