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

Systemtic Name: 1-heptyl-1,6-dimethyl-3-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperazin-1-ium-2,5-dione Openeye Name: 1-heptyl-1,6-dimethyl-3-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperazin-1-ium-2,5-dione CAS Name: 1-heptyl-1,6-dimethyl-3-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperazin-1-ium-2,5-dione IUPAC Name: 1-heptyl-1,6-dimethyl-3-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperazin-1-ium-2,5-dione Traditional Name: 1-heptyl-1,6-dimethyl-3-[4-(3,4,5-trimethoxyphenyl)benzyl]piperazin-1-ium-2,5-quinone Formula: C29H41N2O5+ MolecularWeight: 497.64624

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC[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

CCCCCCC[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/C29H40N2O5/c1-7-8-9-10-11-16-31(3)20(2)28(32)30-24(29(31)33)17-21-12-14-22(15-13-21)23-18-25(34-4)27(36-6)26(19-23)35-5/h12-15,18-20,24H,7-11,16-17H2,1-6H3/p+1