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

Systemtic Name: 2-[(2S)-4-cycloheptyl-1-[(3,5-dimethoxyphenyl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-cycloheptyl-1-[(3,5-dimethoxyphenyl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-cycloheptyl-1-[(3,5-dimethoxyphenyl)methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-cycloheptyl-1-[(3,5-dimethoxyphenyl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-cycloheptyl-1-(3,5-dimethoxybenzyl)piperazin-4-ium-2-yl]ethanol Formula: C22H37N2O3+ MolecularWeight: 377.54078

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CN2CC[NH+](CC2CCO)C3CCCCCC3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)CN2CC[NH+](C[C@@H]2CCO)C3CCCCCC3)OC

InChI

InChI=1S/C22H36N2O3/c1-26-21-13-18(14-22(15-21)27-2)16-23-10-11-24(17-20(23)9-12-25)19-7-5-3-4-6-8-19/h13-15,19-20,25H,3-12,16-17H2,1-2H3/p+1/t20-/m0/s1