(1S,6R)-6-[4-(diphenylmethyl)piperazin-4-ium-1-yl]carbonylcyclohex-3-ene-1-carboxylate

Systemtic Name: (1S,6R)-6-[4-(diphenylmethyl)piperazin-4-ium-1-yl]carbonylcyclohex-3-ene-1-carboxylate Openeye Name: (1S,6R)-6-(4-benzhydrylpiperazin-4-ium-1-carbonyl)cyclohex-3-ene-1-carboxylate CAS Name: (1S,6R)-6-[[4-(diphenylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6R)-6-(4-benzhydrylpiperazin-4-ium-1-carbonyl)cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6R)-6-(4-benzhydrylpiperazin-4-ium-1-carbonyl)cyclohex-3-ene-1-carboxylate Formula: C25H28N2O3 MolecularWeight: 404.50142

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4CC=CCC4C(=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)[C@@H]4CC=CC[C@@H]4C(=O)[O-]

InChI

InChI=1S/C25H28N2O3/c28-24(21-13-7-8-14-22(21)25(29)30)27-17-15-26(16-18-27)23(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-12,21-23H,13-18H2,(H,29,30)/t21-,22+/m1/s1