2-[(2R)-1-(cyclohexylmethyl)-4-(pyridin-2-ylmethyl)piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2R)-1-(cyclohexylmethyl)-4-(pyridin-2-ylmethyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2R)-1-(cyclohexylmethyl)-4-(2-pyridylmethyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2R)-1-(cyclohexylmethyl)-4-(2-pyridinylmethyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2R)-1-(cyclohexylmethyl)-4-(pyridin-2-ylmethyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2R)-1-(cyclohexylmethyl)-4-(2-pyridylmethyl)piperazin-1-ium-2-yl]ethanol Formula: C19H32N3O+ MolecularWeight: 318.47688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C[NH+]2CCN(CC2CCO)CC3=CC=CC=N3

Isomeric SMILES

C1CCC(CC1)C[NH+]2CCN(C[C@H]2CCO)CC3=CC=CC=N3

InChI

InChI=1S/C19H31N3O/c23-13-9-19-16-21(15-18-8-4-5-10-20-18)11-12-22(19)14-17-6-2-1-3-7-17/h4-5,8,10,17,19,23H,1-3,6-7,9,11-16H2/p+1/t19-/m1/s1