2-[(2S)-1-(cyclohexylmethyl)-4-[(6-methoxy-2H-chromen-3-yl)methyl]piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-(cyclohexylmethyl)-4-[(6-methoxy-2H-chromen-3-yl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-(cyclohexylmethyl)-4-[(6-methoxy-2H-chromen-3-yl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(cyclohexylmethyl)-4-[(6-methoxy-2H-1-benzopyran-3-yl)methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-(cyclohexylmethyl)-4-[(6-methoxy-2H-chromen-3-yl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(cyclohexylmethyl)-4-[(6-methoxy-2H-chromen-3-yl)methyl]piperazin-1-ium-2-yl]ethanol Formula: C24H37N2O3+ MolecularWeight: 401.56218

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)OCC(=C2)CN3CC[NH+](C(C3)CCO)CC4CCCCC4

Isomeric SMILES

COC1=CC2=C(C=C1)OCC(=C2)CN3CC[NH+]([C@H](C3)CCO)CC4CCCCC4

InChI

InChI=1S/C24H36N2O3/c1-28-23-7-8-24-21(14-23)13-20(18-29-24)15-25-10-11-26(22(17-25)9-12-27)16-19-5-3-2-4-6-19/h7-8,13-14,19,22,27H,2-6,9-12,15-18H2,1H3/p+1/t22-/m0/s1