2-[(2S)-1-cyclopentyl-4-[[3-(furan-2-yl)phenyl]methyl]piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-cyclopentyl-4-[[3-(furan-2-yl)phenyl]methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-cyclopentyl-4-[[3-(2-furyl)phenyl]methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-cyclopentyl-4-[[3-(2-furanyl)phenyl]methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-cyclopentyl-4-[[3-(furan-2-yl)phenyl]methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-cyclopentyl-4-[3-(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=CC(=C3)C4=CC=CO4

Isomeric SMILES

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

InChI

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