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

Systemtic Name: 2-[(2S)-4-[(6-chloranyl-2H-chromen-3-yl)methyl]-1-cyclohexyl-piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(6-chloro-2H-chromen-3-yl)methyl]-1-cyclohexyl-piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(6-chloro-2H-1-benzopyran-3-yl)methyl]-1-cyclohexyl-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(6-chloro-2H-chromen-3-yl)methyl]-1-cyclohexylpiperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(6-chloro-2H-chromen-3-yl)methyl]-1-cyclohexyl-piperazin-1-ium-2-yl]ethanol Formula: C22H32ClN2O2+ MolecularWeight: 391.95468

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCN(CC2CCO)CC3=CC4=C(C=CC(=C4)Cl)OC3

Isomeric SMILES

C1CCC(CC1)[NH+]2CCN(C[C@@H]2CCO)CC3=CC4=C(C=CC(=C4)Cl)OC3

InChI

InChI=1S/C22H31ClN2O2/c23-19-6-7-22-18(13-19)12-17(16-27-22)14-24-9-10-25(21(15-24)8-11-26)20-4-2-1-3-5-20/h6-7,12-13,20-21,26H,1-5,8-11,14-16H2/p+1/t21-/m0/s1