2-[2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]benzoate

Systemtic Name: 2-[2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]benzoate Openeye Name: 2-[2-(4-benzhydrylpiperazin-4-ium-1-carbonyl)phenyl]benzoate CAS Name: 2-[2-[[4-(diphenylmethyl)-1-piperazin-4-iumyl]-oxomethyl]phenyl]benzoate IUPAC Name: 2-[2-(4-benzhydrylpiperazin-4-ium-1-carbonyl)phenyl]benzoate Traditional Name: 2-[2-(4-benzhydrylpiperazin-4-ium-1-carbonyl)phenyl]benzoate Formula: C31H28N2O3 MolecularWeight: 476.56562

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC=CC=C4C5=CC=CC=C5C(=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC=CC=C4C5=CC=CC=C5C(=O)[O-]

InChI

InChI=1S/C31H28N2O3/c34-30(27-17-9-7-15-25(27)26-16-8-10-18-28(26)31(35)36)33-21-19-32(20-22-33)29(23-11-3-1-4-12-23)24-13-5-2-6-14-24/h1-18,29H,19-22H2,(H,35,36)