2-[(2S)-1-[(4-ethoxyphenyl)methyl]-4-[(8-methoxy-2H-chromen-3-yl)methyl]piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-[(4-ethoxyphenyl)methyl]-4-[(8-methoxy-2H-chromen-3-yl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(4-ethoxyphenyl)methyl]-4-[(8-methoxy-2H-chromen-3-yl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(4-ethoxyphenyl)methyl]-4-[(8-methoxy-2H-1-benzopyran-3-yl)methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(4-ethoxyphenyl)methyl]-4-[(8-methoxy-2H-chromen-3-yl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(4-ethoxybenzyl)-4-[(8-methoxy-2H-chromen-3-yl)methyl]piperazin-4-ium-2-yl]ethanol Formula: C26H35N2O4+ MolecularWeight: 439.5671

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN2CC[NH+](CC2CCO)CC3=CC4=C(C(=CC=C4)OC)OC3

Isomeric SMILES

CCOC1=CC=C(C=C1)CN2CC[NH+](C[C@@H]2CCO)CC3=CC4=C(C(=CC=C4)OC)OC3

InChI

InChI=1S/C26H34N2O4/c1-3-31-24-9-7-20(8-10-24)17-28-13-12-27(18-23(28)11-14-29)16-21-15-22-5-4-6-25(30-2)26(22)32-19-21/h4-10,15,23,29H,3,11-14,16-19H2,1-2H3/p+1/t23-/m0/s1