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

Systemtic Name: 2-[(2S)-4-phenethyl-1-(phenylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-benzyl-4-phenethyl-piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-phenethyl-1-(phenylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-benzyl-4-phenethylpiperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-benzyl-4-phenethyl-piperazin-4-ium-2-yl]ethanol Formula: C21H29N2O+ MolecularWeight: 325.46776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C[NH+]1CCC2=CC=CC=C2)CCO)CC3=CC=CC=C3

Isomeric SMILES

C1CN([C@H](C[NH+]1CCC2=CC=CC=C2)CCO)CC3=CC=CC=C3

InChI

InChI=1S/C21H28N2O/c24-16-12-21-18-22(13-11-19-7-3-1-4-8-19)14-15-23(21)17-20-9-5-2-6-10-20/h1-10,21,24H,11-18H2/p+1/t21-/m0/s1