2-[(2S)-1-(cyclohexylmethyl)-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-(cyclohexylmethyl)-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-(cyclohexylmethyl)-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(cyclohexylmethyl)-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-(cyclohexylmethyl)-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(cyclohexylmethyl)-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazin-1-ium-2-yl]ethanol Formula: C22H35N2O4+ MolecularWeight: 391.5243

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCO2)CN3CC[NH+](C(C3)CCO)CC4CCCCC4

Isomeric SMILES

COC1=CC(=CC2=C1OCO2)CN3CC[NH+]([C@H](C3)CCO)CC4CCCCC4

InChI

InChI=1S/C22H34N2O4/c1-26-20-11-18(12-21-22(20)28-16-27-21)13-23-8-9-24(19(15-23)7-10-25)14-17-5-3-2-4-6-17/h11-12,17,19,25H,2-10,13-16H2,1H3/p+1/t19-/m0/s1