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

Systemtic Name: 4-butyl-1,1-dimethyl-3-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperazin-1-ium-2,6-dione Openeye Name: 4-butyl-1,1-dimethyl-3-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperazin-1-ium-2,6-dione CAS Name: 4-butyl-1,1-dimethyl-3-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperazin-1-ium-2,6-dione IUPAC Name: 4-butyl-1,1-dimethyl-3-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperazin-1-ium-2,6-dione Traditional Name: 4-butyl-1,1-dimethyl-3-[4-(3,4,5-trimethoxyphenyl)benzyl]piperazin-1-ium-2,6-quinone Formula: C26H35N2O5+ MolecularWeight: 455.5665

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CC(=O)[N+](C(=O)C1CC2=CC=C(C=C2)C3=CC(=C(C(=C3)OC)OC)OC)(C)C

Isomeric SMILES

CCCCN1CC(=O)[N+](C(=O)C1CC2=CC=C(C=C2)C3=CC(=C(C(=C3)OC)OC)OC)(C)C

InChI

InChI=1S/C26H35N2O5/c1-7-8-13-27-17-24(29)28(2,3)26(30)21(27)14-18-9-11-19(12-10-18)20-15-22(31-4)25(33-6)23(16-20)32-5/h9-12,15-16,21H,7-8,13-14,17H2,1-6H3/q+1