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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)CN2CC[NH+](C(C2)CCO)CC3CCCCC3

Isomeric SMILES

COC1=CC=CC(=C1OC)CN2CC[NH+]([C@H](C2)CCO)CC3CCCCC3

InChI

InChI=1S/C22H36N2O3/c1-26-21-10-6-9-19(22(21)27-2)16-23-12-13-24(20(17-23)11-14-25)15-18-7-4-3-5-8-18/h6,9-10,18,20,25H,3-5,7-8,11-17H2,1-2H3/p+1/t20-/m0/s1