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

Systemtic Name: 2-[(2S)-1-[(2-ethoxyphenyl)methyl]-4-[(6-methoxy-2H-chromen-3-yl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(2-ethoxyphenyl)methyl]-4-[(6-methoxy-2H-chromen-3-yl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(2-ethoxyphenyl)methyl]-4-[(6-methoxy-2H-1-benzopyran-3-yl)methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(2-ethoxyphenyl)methyl]-4-[(6-methoxy-2H-chromen-3-yl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(2-ethoxybenzyl)-4-[(6-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=CC=C1CN2CC[NH+](CC2CCO)CC3=CC4=C(C=CC(=C4)OC)OC3

Isomeric SMILES

CCOC1=CC=CC=C1CN2CC[NH+](C[C@@H]2CCO)CC3=CC4=C(C=CC(=C4)OC)OC3

InChI

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