2-[(2S)-4-[(4-cyclopentyloxyphenyl)methyl]-1-propan-2-yl-piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(4-cyclopentyloxyphenyl)methyl]-1-propan-2-yl-piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[[4-(cyclopentoxy)phenyl]methyl]-1-isopropyl-piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(4-cyclopentyloxyphenyl)methyl]-1-propan-2-yl-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(4-cyclopentyloxyphenyl)methyl]-1-propan-2-ylpiperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[4-(cyclopentoxy)benzyl]-1-isopropyl-piperazin-1-ium-2-yl]ethanol Formula: C21H35N2O2+ MolecularWeight: 347.5148

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCN(CC1CCO)CC2=CC=C(C=C2)OC3CCCC3

Isomeric SMILES

CC(C)[NH+]1CCN(C[C@@H]1CCO)CC2=CC=C(C=C2)OC3CCCC3

InChI

InChI=1S/C21H34N2O2/c1-17(2)23-13-12-22(16-19(23)11-14-24)15-18-7-9-21(10-8-18)25-20-5-3-4-6-20/h7-10,17,19-20,24H,3-6,11-16H2,1-2H3/p+1/t19-/m0/s1