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

Systemtic Name: 2-[(2S)-4-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-1-methyl-piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-1-methyl-piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-1-methyl-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-1-methylpiperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-1-methyl-piperazin-1-ium-2-yl]ethanol Formula: C15H22ClN2O3+ MolecularWeight: 313.79978

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1CCO)CC2=CC3=C(C=C2Cl)OCO3

Isomeric SMILES

C[NH+]1CCN(C[C@@H]1CCO)CC2=CC3=C(C=C2Cl)OCO3

InChI

InChI=1S/C15H21ClN2O3/c1-17-3-4-18(9-12(17)2-5-19)8-11-6-14-15(7-13(11)16)21-10-20-14/h6-7,12,19H,2-5,8-10H2,1H3/p+1/t12-/m0/s1