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

Systemtic Name: 1-phenyl-4-[2-(3,4,5-trimethoxyphenyl)ethyl]piperazine-1,4-diium dichloride Openeye Name: 1-phenyl-4-[2-(3,4,5-trimethoxyphenyl)ethyl]piperazine-1,4-diium dichloride CAS Name: 1-phenyl-4-[2-(3,4,5-trimethoxyphenyl)ethyl]piperazine-1,4-diium dichloride IUPAC Name: 1-phenyl-4-[2-(3,4,5-trimethoxyphenyl)ethyl]piperazine-1,4-diium dichloride Traditional Name: 1-phenyl-4-[2-(3,4,5-trimethoxyphenyl)ethyl]piperazine-1,4-diium dichloride Formula: C21H30Cl2N2O3 MolecularWeight: 429.3805

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O3.2ClH/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;2*1H