2-[(2S)-1-(cyclohexylmethyl)-4-(3-phenylpropyl)piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-(cyclohexylmethyl)-4-(3-phenylpropyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-(cyclohexylmethyl)-4-(3-phenylpropyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(cyclohexylmethyl)-4-(3-phenylpropyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-(cyclohexylmethyl)-4-(3-phenylpropyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(cyclohexylmethyl)-4-(3-phenylpropyl)piperazin-1-ium-2-yl]ethanol Formula: C22H37N2O+ MolecularWeight: 345.54198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C[NH+]2CCN(CC2CCO)CCCC3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)C[NH+]2CCN(C[C@@H]2CCO)CCCC3=CC=CC=C3

InChI

InChI=1S/C22H36N2O/c25-17-13-22-19-23(14-7-12-20-8-3-1-4-9-20)15-16-24(22)18-21-10-5-2-6-11-21/h1,3-4,8-9,21-22,25H,2,5-7,10-19H2/p+1/t22-/m0/s1