2-[(2R)-1-(cyclohexylmethyl)-3-oxidanylidene-piperazin-1-ium-2-yl]-N-[(4-fluorophenyl)methyl]-N-methyl-ethanamide

Systemtic Name: 2-[(2R)-1-(cyclohexylmethyl)-3-oxidanylidene-piperazin-1-ium-2-yl]-N-[(4-fluorophenyl)methyl]-N-methyl-ethanamide Openeye Name: 2-[(2R)-1-(cyclohexylmethyl)-3-oxo-piperazin-1-ium-2-yl]-N-[(4-fluorophenyl)methyl]-N-methyl-acetamide CAS Name: 2-[(2R)-1-(cyclohexylmethyl)-3-oxo-2-piperazin-1-iumyl]-N-[(4-fluorophenyl)methyl]-N-methylacetamide IUPAC Name: 2-[(2R)-1-(cyclohexylmethyl)-3-oxopiperazin-1-ium-2-yl]-N-[(4-fluorophenyl)methyl]-N-methylacetamide Traditional Name: 2-[(2R)-1-(cyclohexylmethyl)-3-keto-piperazin-1-ium-2-yl]-N-(4-fluorobenzyl)-N-methyl-acetamide Formula: C21H31FN3O2+ MolecularWeight: 376.488143

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)F)C(=O)CC2C(=O)NCC[NH+]2CC3CCCCC3

Isomeric SMILES

CN(CC1=CC=C(C=C1)F)C(=O)C[C@@H]2C(=O)NCC[NH+]2CC3CCCCC3

InChI

InChI=1S/C21H30FN3O2/c1-24(14-17-7-9-18(22)10-8-17)20(26)13-19-21(27)23-11-12-25(19)15-16-5-3-2-4-6-16/h7-10,16,19H,2-6,11-15H2,1H3,(H,23,27)/p+1/t19-/m1/s1