4,4-bis[2-(diphenylmethyl)oxyethyl]piperazin-4-ium-2-one bromide

Systemtic Name: 4,4-bis[2-(diphenylmethyl)oxyethyl]piperazin-4-ium-2-one bromide Openeye Name: 4,4-bis(2-benzhydryloxyethyl)piperazin-4-ium-2-one bromide CAS Name: 4,4-bis[2-(diphenylmethyl)oxyethyl]-2-piperazin-4-iumone bromide IUPAC Name: 4,4-bis(2-benzhydryloxyethyl)piperazin-4-ium-2-one bromide Traditional Name: 4,4-bis(2-benzhydryloxyethyl)piperazin-4-ium-2-one bromide Formula: C34H37BrN2O3 MolecularWeight: 601.57318

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CC(=O)N1)(CCOC(C2=CC=CC=C2)C3=CC=CC=C3)CCOC(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

Isomeric SMILES

C1C[N+](CC(=O)N1)(CCOC(C2=CC=CC=C2)C3=CC=CC=C3)CCOC(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

InChI

InChI=1S/C34H36N2O3.BrH/c37-32-27-36(22-21-35-32,23-25-38-33(28-13-5-1-6-14-28)29-15-7-2-8-16-29)24-26-39-34(30-17-9-3-10-18-30)31-19-11-4-12-20-31;/h1-20,33-34H,21-27H2;1H