2-[(2S)-4-[(6-chloranyl-2H-chromen-3-yl)methyl]-1-(3-phenylpropyl)piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(6-chloranyl-2H-chromen-3-yl)methyl]-1-(3-phenylpropyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(6-chloro-2H-chromen-3-yl)methyl]-1-(3-phenylpropyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(6-chloro-2H-1-benzopyran-3-yl)methyl]-1-(3-phenylpropyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(6-chloro-2H-chromen-3-yl)methyl]-1-(3-phenylpropyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(6-chloro-2H-chromen-3-yl)methyl]-1-(3-phenylpropyl)piperazin-1-ium-2-yl]ethanol Formula: C25H32ClN2O2+ MolecularWeight: 427.98678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC([NH+]1CCCC2=CC=CC=C2)CCO)CC3=CC4=C(C=CC(=C4)Cl)OC3

Isomeric SMILES

C1CN(C[C@@H]([NH+]1CCCC2=CC=CC=C2)CCO)CC3=CC4=C(C=CC(=C4)Cl)OC3

InChI

InChI=1S/C25H31ClN2O2/c26-23-8-9-25-22(16-23)15-21(19-30-25)17-27-12-13-28(24(18-27)10-14-29)11-4-7-20-5-2-1-3-6-20/h1-3,5-6,8-9,15-16,24,29H,4,7,10-14,17-19H2/p+1/t24-/m0/s1