2-[(2S)-4-cyclohexyl-1-(3-methylbutyl)piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-cyclohexyl-1-(3-methylbutyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-cyclohexyl-1-isopentyl-piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-cyclohexyl-1-(3-methylbutyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-cyclohexyl-1-(3-methylbutyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-cyclohexyl-1-isoamyl-piperazin-4-ium-2-yl]ethanol Formula: C17H35N2O+ MolecularWeight: 283.4726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1CC[NH+](CC1CCO)C2CCCCC2

Isomeric SMILES

CC(C)CCN1CC[NH+](C[C@@H]1CCO)C2CCCCC2

InChI

InChI=1S/C17H34N2O/c1-15(2)8-10-18-11-12-19(14-17(18)9-13-20)16-6-4-3-5-7-16/h15-17,20H,3-14H2,1-2H3/p+1/t17-/m0/s1