2-[(2S)-4-[(5-ethylfuran-2-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(5-ethylfuran-2-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(5-ethyl-2-furyl)methyl]-1-[(3-methoxyphenyl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(5-ethyl-2-furanyl)methyl]-1-[(3-methoxyphenyl)methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(5-ethylfuran-2-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(5-ethyl-2-furyl)methyl]-1-m-anisyl-piperazin-4-ium-2-yl]ethanol Formula: C21H31N2O3+ MolecularWeight: 359.48244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(O1)C[NH+]2CCN(C(C2)CCO)CC3=CC(=CC=C3)OC

Isomeric SMILES

CCC1=CC=C(O1)C[NH+]2CCN([C@H](C2)CCO)CC3=CC(=CC=C3)OC

InChI

InChI=1S/C21H30N2O3/c1-3-19-7-8-21(26-19)16-22-10-11-23(18(15-22)9-12-24)14-17-5-4-6-20(13-17)25-2/h4-8,13,18,24H,3,9-12,14-16H2,1-2H3/p+1/t18-/m0/s1