2-[(2S)-4-(1-benzofuran-2-ylmethyl)-1-(2,2-dimethylpropyl)piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-(1-benzofuran-2-ylmethyl)-1-(2,2-dimethylpropyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-(benzofuran-2-ylmethyl)-1-(2,2-dimethylpropyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-(2-benzofuranylmethyl)-1-(2,2-dimethylpropyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-(1-benzofuran-2-ylmethyl)-1-(2,2-dimethylpropyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(benzofuran-2-ylmethyl)-1-neopentyl-piperazin-4-ium-2-yl]ethanol Formula: C20H31N2O2+ MolecularWeight: 331.47234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN1CC[NH+](CC1CCO)CC2=CC3=CC=CC=C3O2

Isomeric SMILES

CC(C)(C)CN1CC[NH+](C[C@@H]1CCO)CC2=CC3=CC=CC=C3O2

InChI

InChI=1S/C20H30N2O2/c1-20(2,3)15-22-10-9-21(13-17(22)8-11-23)14-18-12-16-6-4-5-7-19(16)24-18/h4-7,12,17,23H,8-11,13-15H2,1-3H3/p+1/t17-/m0/s1