2-[(2S)-1-cyclohexyl-4-(isoquinolin-5-ylmethyl)piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-cyclohexyl-4-(isoquinolin-5-ylmethyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-cyclohexyl-4-(5-isoquinolylmethyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-cyclohexyl-4-(5-isoquinolinylmethyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-cyclohexyl-4-(isoquinolin-5-ylmethyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-cyclohexyl-4-(5-isoquinolylmethyl)piperazin-1-ium-2-yl]ethanol Formula: C22H32N3O+ MolecularWeight: 354.50898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCN(CC2CCO)CC3=CC=CC4=C3C=CN=C4

Isomeric SMILES

C1CCC(CC1)[NH+]2CCN(C[C@@H]2CCO)CC3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C22H31N3O/c26-14-10-21-17-24(12-13-25(21)20-7-2-1-3-8-20)16-19-6-4-5-18-15-23-11-9-22(18)19/h4-6,9,11,15,20-21,26H,1-3,7-8,10,12-14,16-17H2/p+1/t21-/m0/s1