2-[(2S)-1-[(4-ethoxyphenyl)methyl]-4-[(5-methylfuran-2-yl)methyl]piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-[(4-ethoxyphenyl)methyl]-4-[(5-methylfuran-2-yl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(4-ethoxyphenyl)methyl]-4-[(5-methyl-2-furyl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(4-ethoxyphenyl)methyl]-4-[(5-methyl-2-furanyl)methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(4-ethoxyphenyl)methyl]-4-[(5-methylfuran-2-yl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(4-ethoxybenzyl)-4-[(5-methyl-2-furyl)methyl]piperazin-4-ium-2-yl]ethanol Formula: C21H31N2O3+ MolecularWeight: 359.48244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN2CC[NH+](CC2CCO)CC3=CC=C(O3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)CN2CC[NH+](C[C@@H]2CCO)CC3=CC=C(O3)C

InChI

InChI=1S/C21H30N2O3/c1-3-25-20-8-5-18(6-9-20)14-23-12-11-22(15-19(23)10-13-24)16-21-7-4-17(2)26-21/h4-9,19,24H,3,10-16H2,1-2H3/p+1/t19-/m0/s1