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

Systemtic Name: 2-[(2S)-1-cyclohexyl-4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-cyclohexyl-4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-cyclohexyl-4-[(3,5-dimethoxyphenyl)methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-cyclohexyl-4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-cyclohexyl-4-(3,5-dimethoxybenzyl)piperazin-1-ium-2-yl]ethanol Formula: C21H35N2O3+ MolecularWeight: 363.5142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34N2O3/c1-25-20-12-17(13-21(14-20)26-2)15-22-9-10-23(19(16-22)8-11-24)18-6-4-3-5-7-18/h12-14,18-19,24H,3-11,15-16H2,1-2H3/p+1/t19-/m0/s1