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

Systemtic Name: 2-[(2S)-4-(dibenzofuran-4-ylmethyl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-(dibenzofuran-4-ylmethyl)-1-(1-isopropyl-4-piperidyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-(4-dibenzofuranylmethyl)-1-(1-propan-2-yl-4-piperidinyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-(dibenzofuran-4-ylmethyl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(dibenzofuran-4-ylmethyl)-1-(1-isopropyl-4-piperidyl)piperazin-1-ium-2-yl]ethanol Formula: C27H38N3O2+ MolecularWeight: 436.60952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCC(CC1)[NH+]2CCN(CC2CCO)CC3=CC=CC4=C3OC5=CC=CC=C45

Isomeric SMILES

CC(C)N1CCC(CC1)[NH+]2CCN(C[C@@H]2CCO)CC3=CC=CC4=C3OC5=CC=CC=C45

InChI

InChI=1S/C27H37N3O2/c1-20(2)29-13-10-22(11-14-29)30-16-15-28(19-23(30)12-17-31)18-21-6-5-8-25-24-7-3-4-9-26(24)32-27(21)25/h3-9,20,22-23,31H,10-19H2,1-2H3/p+1/t23-/m0/s1