2-[(2S)-1-cyclohexyl-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-cyclohexyl-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-cyclohexyl-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-cyclohexyl-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-cyclohexyl-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-cyclohexyl-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-ium-2-yl]ethanol Formula: C21H31N4O2+ MolecularWeight: 371.49644

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCN(CC2CCO)CC3=NC(=NO3)C4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)[NH+]2CCN(C[C@@H]2CCO)CC3=NC(=NO3)C4=CC=CC=C4

InChI

InChI=1S/C21H30N4O2/c26-14-11-19-15-24(12-13-25(19)18-9-5-2-6-10-18)16-20-22-21(23-27-20)17-7-3-1-4-8-17/h1,3-4,7-8,18-19,26H,2,5-6,9-16H2/p+1/t19-/m0/s1