1-phenyl-4-[2-(3,4,5-trimethoxyphenyl)ethyl]piperazine-1,4-diium

Systemtic Name: 1-phenyl-4-[2-(3,4,5-trimethoxyphenyl)ethyl]piperazine-1,4-diium Openeye Name: 1-phenyl-4-[2-(3,4,5-trimethoxyphenyl)ethyl]piperazine-1,4-diium CAS Name: 1-phenyl-4-[2-(3,4,5-trimethoxyphenyl)ethyl]piperazine-1,4-diium IUPAC Name: 1-phenyl-4-[2-(3,4,5-trimethoxyphenyl)ethyl]piperazine-1,4-diium Traditional Name: 1-phenyl-4-[2-(3,4,5-trimethoxyphenyl)ethyl]piperazine-1,4-diium Formula: C21H30N2O3+2 MolecularWeight: 358.4745

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CC[NH+]2CC[NH+](CC2)C3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CC[NH+]2CC[NH+](CC2)C3=CC=CC=C3

InChI

InChI=1S/C21H28N2O3/c1-24-19-15-17(16-20(25-2)21(19)26-3)9-10-22-11-13-23(14-12-22)18-7-5-4-6-8-18/h4-8,15-16H,9-14H2,1-3H3/p+2