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

Systemtic Name: 1,6-dimethyl-1-(5-phenylpentyl)-3-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperazin-1-ium-2,5-dione Openeye Name: 1,6-dimethyl-1-(5-phenylpentyl)-3-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperazin-1-ium-2,5-dione CAS Name: 1,6-dimethyl-1-(5-phenylpentyl)-3-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperazin-1-ium-2,5-dione IUPAC Name: 1,6-dimethyl-1-(5-phenylpentyl)-3-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperazin-1-ium-2,5-dione Traditional Name: 1,6-dimethyl-1-(5-phenylpentyl)-3-[4-(3,4,5-trimethoxyphenyl)benzyl]piperazin-1-ium-2,5-quinone Formula: C33H41N2O5+ MolecularWeight: 545.68904

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC(C(=O)[N+]1(C)CCCCCC2=CC=CC=C2)CC3=CC=C(C=C3)C4=CC(=C(C(=C4)OC)OC)OC

Isomeric SMILES

CC1C(=O)NC(C(=O)[N+]1(C)CCCCCC2=CC=CC=C2)CC3=CC=C(C=C3)C4=CC(=C(C(=C4)OC)OC)OC

InChI

InChI=1S/C33H40N2O5/c1-23-32(36)34-28(33(37)35(23,2)19-11-7-10-14-24-12-8-6-9-13-24)20-25-15-17-26(18-16-25)27-21-29(38-3)31(40-5)30(22-27)39-4/h6,8-9,12-13,15-18,21-23,28H,7,10-11,14,19-20H2,1-5H3/p+1