2-[(2S)-4-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-1-cyclohexyl-piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-1-cyclohexyl-piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-1-cyclohexyl-piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-1-cyclohexyl-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-1-cyclohexylpiperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-1-cyclohexyl-piperazin-1-ium-2-yl]ethanol Formula: C20H30ClN2O3+ MolecularWeight: 381.9168

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCN(CC2CCO)CC3=CC4=C(C=C3Cl)OCO4

Isomeric SMILES

C1CCC(CC1)[NH+]2CCN(C[C@@H]2CCO)CC3=CC4=C(C=C3Cl)OCO4

InChI

InChI=1S/C20H29ClN2O3/c21-18-11-20-19(25-14-26-20)10-15(18)12-22-7-8-23(17(13-22)6-9-24)16-4-2-1-3-5-16/h10-11,16-17,24H,1-9,12-14H2/p+1/t17-/m0/s1