3-[4-(diphenylmethyl)piperazin-4-ium-1-yl]carbonylbenzoate

Systemtic Name: 3-[4-(diphenylmethyl)piperazin-4-ium-1-yl]carbonylbenzoate Openeye Name: 3-(4-benzhydrylpiperazin-4-ium-1-carbonyl)benzoate CAS Name: 3-[[4-(diphenylmethyl)-1-piperazin-4-iumyl]-oxomethyl]benzoate IUPAC Name: 3-(4-benzhydrylpiperazin-4-ium-1-carbonyl)benzoate Traditional Name: 3-(4-benzhydrylpiperazin-4-ium-1-carbonyl)benzoate Formula: C25H24N2O3 MolecularWeight: 400.46966

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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=C4)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C25H24N2O3/c28-24(21-12-7-13-22(18-21)25(29)30)27-16-14-26(15-17-27)23(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-13,18,23H,14-17H2,(H,29,30)