(1R,2S)-2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]carbonylcyclohexane-1-carboxylate

Systemtic Name: (1R,2S)-2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]carbonylcyclohexane-1-carboxylate Openeye Name: (1R,2S)-2-(4-benzhydrylpiperazin-4-ium-1-carbonyl)cyclohexanecarboxylate CAS Name: (1R,2S)-2-[[4-(diphenylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1R,2S)-2-(4-benzhydrylpiperazin-4-ium-1-carbonyl)cyclohexane-1-carboxylate Traditional Name: (1R,2S)-2-(4-benzhydrylpiperazin-4-ium-1-carbonyl)cyclohexanecarboxylate Formula: C25H30N2O3 MolecularWeight: 406.5173

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)[O-]

Isomeric SMILES

C1CC[C@H]([C@H](C1)C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)[O-]

InChI

InChI=1S/C25H30N2O3/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/h1-6,9-12,21-23H,7-8,13-18H2,(H,29,30)/t21-,22+/m0/s1