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

Systemtic Name: 2-[(2S)-4-[(6-chloranyl-2H-chromen-3-yl)methyl]-1-(thiophen-2-ylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(6-chloro-2H-chromen-3-yl)methyl]-1-(2-thienylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(6-chloro-2H-1-benzopyran-3-yl)methyl]-1-(thiophen-2-ylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(6-chloro-2H-chromen-3-yl)methyl]-1-(thiophen-2-ylmethyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(6-chloro-2H-chromen-3-yl)methyl]-1-(2-thenyl)piperazin-4-ium-2-yl]ethanol Formula: C21H26ClN2O2S+ MolecularWeight: 405.96134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C[NH+]1CC2=CC3=C(C=CC(=C3)Cl)OC2)CCO)CC4=CC=CS4

Isomeric SMILES

C1CN([C@H](C[NH+]1CC2=CC3=C(C=CC(=C3)Cl)OC2)CCO)CC4=CC=CS4

InChI

InChI=1S/C21H25ClN2O2S/c22-18-3-4-21-17(11-18)10-16(15-26-21)12-23-6-7-24(19(13-23)5-8-25)14-20-2-1-9-27-20/h1-4,9-11,19,25H,5-8,12-15H2/p+1/t19-/m0/s1