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

Systemtic Name: 1-(3-ethoxypropyl)-1-methyl-3-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperazin-1-ium-2,5-dione Openeye Name: 1-(3-ethoxypropyl)-1-methyl-3-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperazin-1-ium-2,5-dione CAS Name: 1-(3-ethoxypropyl)-1-methyl-3-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperazin-1-ium-2,5-dione IUPAC Name: 1-(3-ethoxypropyl)-1-methyl-3-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperazin-1-ium-2,5-dione Traditional Name: 1-(3-ethoxypropyl)-1-methyl-3-[4-(3,4,5-trimethoxyphenyl)benzyl]piperazin-1-ium-2,5-quinone Formula: C26H35N2O6+ MolecularWeight: 471.5659

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34N2O6/c1-6-34-13-7-12-28(2)17-24(29)27-21(26(28)30)14-18-8-10-19(11-9-18)20-15-22(31-3)25(33-5)23(16-20)32-4/h8-11,15-16,21H,6-7,12-14,17H2,1-5H3/p+1