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

Systemtic Name: 3-[4-(diphenylmethyl)piperazin-4-ium-1-yl]sulfonylbenzoate Openeye Name: 3-(4-benzhydrylpiperazin-4-ium-1-yl)sulfonylbenzoate CAS Name: 3-[[4-(diphenylmethyl)-1-piperazin-4-iumyl]sulfonyl]benzoate IUPAC Name: 3-(4-benzhydrylpiperazin-4-ium-1-yl)sulfonylbenzoate Traditional Name: 3-(4-benzhydrylpiperazin-4-ium-1-yl)sulfonylbenzoate Formula: C24H24N2O4S MolecularWeight: 436.52336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24N2O4S/c27-24(28)21-12-7-13-22(18-21)31(29,30)26-16-14-25(15-17-26)23(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-13,18,23H,14-17H2,(H,27,28)