2-[(2S)-1-cyclopentyl-4-[[4-(furan-2-yl)phenyl]methyl]piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-cyclopentyl-4-[[4-(furan-2-yl)phenyl]methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-cyclopentyl-4-[[4-(2-furyl)phenyl]methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-cyclopentyl-4-[[4-(2-furanyl)phenyl]methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-cyclopentyl-4-[[4-(furan-2-yl)phenyl]methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-cyclopentyl-4-[4-(2-furyl)benzyl]piperazin-1-ium-2-yl]ethanol Formula: C22H31N2O2+ MolecularWeight: 355.49374

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+]2CCN(CC2CCO)CC3=CC=C(C=C3)C4=CC=CO4

Isomeric SMILES

C1CCC(C1)[NH+]2CCN(C[C@@H]2CCO)CC3=CC=C(C=C3)C4=CC=CO4

InChI

InChI=1S/C22H30N2O2/c25-14-11-21-17-23(12-13-24(21)20-4-1-2-5-20)16-18-7-9-19(10-8-18)22-6-3-15-26-22/h3,6-10,15,20-21,25H,1-2,4-5,11-14,16-17H2/p+1/t21-/m0/s1