2-[(2S)-1-cyclopentyl-4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-cyclopentyl-4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-cyclopentyl-4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-cyclopentyl-4-(2,3-dihydrobenzofuran-5-ylmethyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-cyclopentyl-4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(coumaran-5-ylmethyl)-1-cyclopentyl-piperazin-1-ium-2-yl]ethanol Formula: C20H31N2O2+ MolecularWeight: 331.47234

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+]2CCN(CC2CCO)CC3=CC4=C(C=C3)OCC4

Isomeric SMILES

C1CCC(C1)[NH+]2CCN(C[C@@H]2CCO)CC3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C20H30N2O2/c23-11-7-19-15-21(9-10-22(19)18-3-1-2-4-18)14-16-5-6-20-17(13-16)8-12-24-20/h5-6,13,18-19,23H,1-4,7-12,14-15H2/p+1/t19-/m0/s1