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

Systemtic Name: 2-[(2S)-4-(2-ethylbutyl)-1-(2-methylpropyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-(2-ethylbutyl)-1-isobutyl-piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-(2-ethylbutyl)-1-(2-methylpropyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-(2-ethylbutyl)-1-(2-methylpropyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(2-ethylbutyl)-1-isobutyl-piperazin-4-ium-2-yl]ethanol Formula: C16H35N2O+ MolecularWeight: 271.4619

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C[NH+]1CCN(C(C1)CCO)CC(C)C

Isomeric SMILES

CCC(CC)C[NH+]1CCN([C@H](C1)CCO)CC(C)C

InChI

InChI=1S/C16H34N2O/c1-5-15(6-2)12-17-8-9-18(11-14(3)4)16(13-17)7-10-19/h14-16,19H,5-13H2,1-4H3/p+1/t16-/m0/s1