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

Systemtic Name: 2-[(2S)-4-(1-benzofuran-2-ylmethyl)-1-(2-methylpropyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-(benzofuran-2-ylmethyl)-1-isobutyl-piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-(2-benzofuranylmethyl)-1-(2-methylpropyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-(1-benzofuran-2-ylmethyl)-1-(2-methylpropyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(benzofuran-2-ylmethyl)-1-isobutyl-piperazin-4-ium-2-yl]ethanol Formula: C19H29N2O2+ MolecularWeight: 317.44576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O2/c1-15(2)12-21-9-8-20(13-17(21)7-10-22)14-18-11-16-5-3-4-6-19(16)23-18/h3-6,11,15,17,22H,7-10,12-14H2,1-2H3/p+1/t17-/m0/s1