(2S)-1-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-3-propan-2-yloxy-propan-2-ol

Systemtic Name: (2S)-1-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-3-propan-2-yloxy-propan-2-ol Openeye Name: (2S)-1-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-3-isopropoxy-propan-2-ol CAS Name: (2S)-1-[4-[(4-chlorophenyl)methyl]-1-piperazin-4-iumyl]-3-propan-2-yloxy-2-propanol IUPAC Name: (2S)-1-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-3-propan-2-yloxypropan-2-ol Traditional Name: (2S)-1-[4-(4-chlorobenzyl)piperazin-4-ium-1-yl]-3-isopropoxy-propan-2-ol Formula: C17H28ClN2O2+ MolecularWeight: 327.86942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCC(CN1CC[NH+](CC1)CC2=CC=C(C=C2)Cl)O

Isomeric SMILES

CC(C)OC[C@H](CN1CC[NH+](CC1)CC2=CC=C(C=C2)Cl)O

InChI

InChI=1S/C17H27ClN2O2/c1-14(2)22-13-17(21)12-20-9-7-19(8-10-20)11-15-3-5-16(18)6-4-15/h3-6,14,17,21H,7-13H2,1-2H3/p+1/t17-/m0/s1