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

Systemtic Name: 2-[(2S)-4-(1-benzofuran-2-ylmethyl)-1-phenethyl-piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-(benzofuran-2-ylmethyl)-1-phenethyl-piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-(2-benzofuranylmethyl)-1-phenethyl-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-(1-benzofuran-2-ylmethyl)-1-phenethylpiperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(benzofuran-2-ylmethyl)-1-phenethyl-piperazin-4-ium-2-yl]ethanol Formula: C23H29N2O2+ MolecularWeight: 365.48856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C[NH+]1CC2=CC3=CC=CC=C3O2)CCO)CCC4=CC=CC=C4

Isomeric SMILES

C1CN([C@H](C[NH+]1CC2=CC3=CC=CC=C3O2)CCO)CCC4=CC=CC=C4

InChI

InChI=1S/C23H28N2O2/c26-15-11-21-17-24(18-22-16-20-8-4-5-9-23(20)27-22)13-14-25(21)12-10-19-6-2-1-3-7-19/h1-9,16,21,26H,10-15,17-18H2/p+1/t21-/m0/s1