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

Systemtic Name: 2-[(2S)-4-[(6-chloranyl-2H-chromen-3-yl)methyl]-1-(cyclohexylmethyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(6-chloro-2H-chromen-3-yl)methyl]-1-(cyclohexylmethyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(6-chloro-2H-1-benzopyran-3-yl)methyl]-1-(cyclohexylmethyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(6-chloro-2H-chromen-3-yl)methyl]-1-(cyclohexylmethyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(6-chloro-2H-chromen-3-yl)methyl]-1-(cyclohexylmethyl)piperazin-1-ium-2-yl]ethanol Formula: C23H34ClN2O2+ MolecularWeight: 405.98126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33ClN2O2/c24-21-6-7-23-20(13-21)12-19(17-28-23)14-25-9-10-26(22(16-25)8-11-27)15-18-4-2-1-3-5-18/h6-7,12-13,18,22,27H,1-5,8-11,14-17H2/p+1/t22-/m0/s1