ethyl 1,4-bis(phenylmethyl)piperazine-1,4-diium-2-carboxylate dichloride

Systemtic Name: ethyl 1,4-bis(phenylmethyl)piperazine-1,4-diium-2-carboxylate dichloride Openeye Name: ethyl 1,4-dibenzylpiperazine-1,4-diium-2-carboxylate dichloride CAS Name: 1,4-bis(phenylmethyl)-2-piperazine-1,4-diiumcarboxylic acid ethyl ester dichloride IUPAC Name: ethyl 1,4-dibenzylpiperazine-1,4-diium-2-carboxylate dichloride Traditional Name: 1,4-dibenzylpiperazine-1,4-diium-2-carboxylic acid ethyl ester dichloride Formula: C21H28Cl2N2O2 MolecularWeight: 411.36522

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C[NH+](CC[NH+]1CC2=CC=CC=C2)CC3=CC=CC=C3.[Cl-].[Cl-]

Isomeric SMILES

CCOC(=O)C1C[NH+](CC[NH+]1CC2=CC=CC=C2)CC3=CC=CC=C3.[Cl-].[Cl-]

InChI

InChI=1S/C21H26N2O2.2ClH/c1-2-25-21(24)20-17-22(15-18-9-5-3-6-10-18)13-14-23(20)16-19-11-7-4-8-12-19;;/h3-12,20H,2,13-17H2,1H3;2*1H