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

Systemtic Name: 2-[(2S)-4-[(5-chloranyl-2,3-dimethoxy-phenyl)methyl]-1-cyclohexyl-piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(5-chloro-2,3-dimethoxy-phenyl)methyl]-1-cyclohexyl-piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-cyclohexyl-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-cyclohexylpiperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(5-chloro-2,3-dimethoxy-benzyl)-1-cyclohexyl-piperazin-1-ium-2-yl]ethanol Formula: C21H34ClN2O3+ MolecularWeight: 397.95926

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)Cl)CN2CC[NH+](C(C2)CCO)C3CCCCC3)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)Cl)CN2CC[NH+]([C@H](C2)CCO)C3CCCCC3)OC

InChI

InChI=1S/C21H33ClN2O3/c1-26-20-13-17(22)12-16(21(20)27-2)14-23-9-10-24(19(15-23)8-11-25)18-6-4-3-5-7-18/h12-13,18-19,25H,3-11,14-15H2,1-2H3/p+1/t19-/m0/s1