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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34N2O3/c1-25-20-8-9-21(26-2)17(14-20)15-22-11-12-23(19(16-22)10-13-24)18-6-4-3-5-7-18/h8-9,14,18-19,24H,3-7,10-13,15-16H2,1-2H3/p+1/t19-/m0/s1