2-[(2S)-1-(3-phenylpropyl)-4-(quinolin-5-ylmethyl)piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-(3-phenylpropyl)-4-(quinolin-5-ylmethyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-(3-phenylpropyl)-4-(5-quinolylmethyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(3-phenylpropyl)-4-(5-quinolinylmethyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-(3-phenylpropyl)-4-(quinolin-5-ylmethyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(3-phenylpropyl)-4-(5-quinolylmethyl)piperazin-1-ium-2-yl]ethanol Formula: C25H32N3O+ MolecularWeight: 390.54108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC([NH+]1CCCC2=CC=CC=C2)CCO)CC3=C4C=CC=NC4=CC=C3

Isomeric SMILES

C1CN(C[C@@H]([NH+]1CCCC2=CC=CC=C2)CCO)CC3=C4C=CC=NC4=CC=C3

InChI

InChI=1S/C25H31N3O/c29-18-13-23-20-27(19-22-10-4-12-25-24(22)11-5-14-26-25)16-17-28(23)15-6-9-21-7-2-1-3-8-21/h1-5,7-8,10-12,14,23,29H,6,9,13,15-20H2/p+1/t23-/m0/s1