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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC([NH+]1CC2=CSC=C2)CCO)CC3=CC4=C(C=CC(=C4)Cl)OC3

Isomeric SMILES

C1CN(C[C@@H]([NH+]1CC2=CSC=C2)CCO)CC3=CC4=C(C=CC(=C4)Cl)OC3

InChI

InChI=1S/C21H25ClN2O2S/c22-19-1-2-21-18(10-19)9-17(14-26-21)11-23-5-6-24(20(13-23)3-7-25)12-16-4-8-27-15-16/h1-2,4,8-10,15,20,25H,3,5-7,11-14H2/p+1/t20-/m0/s1