2-[(2S)-1-cyclohexyl-4-[(6-ethoxyquinolin-2-yl)methyl]piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-cyclohexyl-4-[(6-ethoxyquinolin-2-yl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-cyclohexyl-4-[(6-ethoxy-2-quinolyl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-cyclohexyl-4-[(6-ethoxy-2-quinolinyl)methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-cyclohexyl-4-[(6-ethoxyquinolin-2-yl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-cyclohexyl-4-[(6-ethoxy-2-quinolyl)methyl]piperazin-1-ium-2-yl]ethanol Formula: C24H36N3O2+ MolecularWeight: 398.56154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(C=C2)CN3CC[NH+](C(C3)CCO)C4CCCCC4

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(C=C2)CN3CC[NH+]([C@H](C3)CCO)C4CCCCC4

InChI

InChI=1S/C24H35N3O2/c1-2-29-23-10-11-24-19(16-23)8-9-20(25-24)17-26-13-14-27(22(18-26)12-15-28)21-6-4-3-5-7-21/h8-11,16,21-22,28H,2-7,12-15,17-18H2,1H3/p+1/t22-/m0/s1