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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CC[NH+](C(C2)CCO)CC3CCCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CC[NH+]([C@H](C2)CCO)CC3CCCCC3)OC

InChI

InChI=1S/C22H36N2O3/c1-26-21-9-8-19(14-22(21)27-2)15-23-11-12-24(20(17-23)10-13-25)16-18-6-4-3-5-7-18/h8-9,14,18,20,25H,3-7,10-13,15-17H2,1-2H3/p+1/t20-/m0/s1