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

Systemtic Name: 2-[(2S)-1-cyclohexyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-cyclohexyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-cyclohexyl-4-[(2,3,4-trimethoxyphenyl)methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-cyclohexyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-cyclohexyl-4-(2,3,4-trimethoxybenzyl)piperazin-1-ium-2-yl]ethanol Formula: C22H37N2O4+ MolecularWeight: 393.54018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H36N2O4/c1-26-20-10-9-17(21(27-2)22(20)28-3)15-23-12-13-24(19(16-23)11-14-25)18-7-5-4-6-8-18/h9-10,18-19,25H,4-8,11-16H2,1-3H3/p+1/t19-/m0/s1