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

Systemtic Name: 2-[(2S)-1-(2-methylpropyl)-4-phenethyl-piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-isobutyl-4-phenethyl-piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(2-methylpropyl)-4-phenethyl-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-(2-methylpropyl)-4-phenethylpiperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-isobutyl-4-phenethyl-piperazin-4-ium-2-yl]ethanol Formula: C18H31N2O+ MolecularWeight: 291.45154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1CC[NH+](CC1CCO)CCC2=CC=CC=C2

Isomeric SMILES

CC(C)CN1CC[NH+](C[C@@H]1CCO)CCC2=CC=CC=C2

InChI

InChI=1S/C18H30N2O/c1-16(2)14-20-12-11-19(15-18(20)9-13-21)10-8-17-6-4-3-5-7-17/h3-7,16,18,21H,8-15H2,1-2H3/p+1/t18-/m0/s1