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

Systemtic Name: 1,4-dimethyl-1-oct-2-ynyl-3-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperazin-1-ium-2,6-dione Openeye Name: 1,4-dimethyl-1-oct-2-ynyl-3-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperazin-1-ium-2,6-dione CAS Name: 1,4-dimethyl-1-oct-2-ynyl-3-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperazin-1-ium-2,6-dione IUPAC Name: 1,4-dimethyl-1-oct-2-ynyl-3-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperazin-1-ium-2,6-dione Traditional Name: 1,4-dimethyl-1-oct-2-ynyl-3-[4-(3,4,5-trimethoxyphenyl)benzyl]piperazin-1-ium-2,6-quinone Formula: C30H39N2O5+ MolecularWeight: 507.64106

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC#CC[N+]1(C(=O)CN(C(C1=O)CC2=CC=C(C=C2)C3=CC(=C(C(=C3)OC)OC)OC)C)C

Isomeric SMILES

CCCCCC#CC[N+]1(C(=O)CN(C(C1=O)CC2=CC=C(C=C2)C3=CC(=C(C(=C3)OC)OC)OC)C)C

InChI

InChI=1S/C30H39N2O5/c1-7-8-9-10-11-12-17-32(3)28(33)21-31(2)25(30(32)34)18-22-13-15-23(16-14-22)24-19-26(35-4)29(37-6)27(20-24)36-5/h13-16,19-20,25H,7-10,17-18,21H2,1-6H3/q+1