(1S,2R)-2-(4-phenethylpiperazin-4-ium-1-yl)carbonylcyclohexane-1-carboxylate

Systemtic Name: (1S,2R)-2-(4-phenethylpiperazin-4-ium-1-yl)carbonylcyclohexane-1-carboxylate Openeye Name: (1S,2R)-2-(4-phenethylpiperazin-4-ium-1-carbonyl)cyclohexanecarboxylate CAS Name: (1S,2R)-2-[oxo-(4-phenethyl-1-piperazin-4-iumyl)methyl]-1-cyclohexanecarboxylate IUPAC Name: (1S,2R)-2-(4-phenethylpiperazin-4-ium-1-carbonyl)cyclohexane-1-carboxylate Traditional Name: (1S,2R)-2-(4-phenethylpiperazin-4-ium-1-carbonyl)cyclohexanecarboxylate Formula: C20H28N2O3 MolecularWeight: 344.44792

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)N2CC[NH+](CC2)CCC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

C1CC[C@@H]([C@@H](C1)C(=O)N2CC[NH+](CC2)CCC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C20H28N2O3/c23-19(17-8-4-5-9-18(17)20(24)25)22-14-12-21(13-15-22)11-10-16-6-2-1-3-7-16/h1-3,6-7,17-18H,4-5,8-15H2,(H,24,25)/t17-,18+/m1/s1