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

Systemtic Name: 2-[(2S)-4-[(3-chloranyl-4,5-dimethoxy-phenyl)methyl]-1-methyl-piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(3-chloro-4,5-dimethoxy-phenyl)methyl]-1-methyl-piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-methyl-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-methylpiperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(3-chloro-4,5-dimethoxy-benzyl)-1-methyl-piperazin-1-ium-2-yl]ethanol Formula: C16H26ClN2O3+ MolecularWeight: 329.84224

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1CCO)CC2=CC(=C(C(=C2)Cl)OC)OC

Isomeric SMILES

C[NH+]1CCN(C[C@@H]1CCO)CC2=CC(=C(C(=C2)Cl)OC)OC

InChI

InChI=1S/C16H25ClN2O3/c1-18-5-6-19(11-13(18)4-7-20)10-12-8-14(17)16(22-3)15(9-12)21-2/h8-9,13,20H,4-7,10-11H2,1-3H3/p+1/t13-/m0/s1