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

Systemtic Name: 2-[(2S)-4-(1-benzofuran-2-ylmethyl)-1-propan-2-yl-piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-(benzofuran-2-ylmethyl)-1-isopropyl-piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-(2-benzofuranylmethyl)-1-propan-2-yl-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-(1-benzofuran-2-ylmethyl)-1-propan-2-ylpiperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(benzofuran-2-ylmethyl)-1-isopropyl-piperazin-4-ium-2-yl]ethanol Formula: C18H27N2O2+ MolecularWeight: 303.41918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CC[NH+](CC1CCO)CC2=CC3=CC=CC=C3O2

Isomeric SMILES

CC(C)N1CC[NH+](C[C@@H]1CCO)CC2=CC3=CC=CC=C3O2

InChI

InChI=1S/C18H26N2O2/c1-14(2)20-9-8-19(12-16(20)7-10-21)13-17-11-15-5-3-4-6-18(15)22-17/h3-6,11,14,16,21H,7-10,12-13H2,1-2H3/p+1/t16-/m0/s1