2-[(2S)-4-[(3-ethoxy-4-methoxy-phenyl)methyl]-1-[(5-methylfuran-2-yl)methyl]piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(3-ethoxy-4-methoxy-phenyl)methyl]-1-[(5-methylfuran-2-yl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(3-ethoxy-4-methoxy-phenyl)methyl]-1-[(5-methyl-2-furyl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(3-ethoxy-4-methoxyphenyl)methyl]-1-[(5-methyl-2-furanyl)methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(3-ethoxy-4-methoxyphenyl)methyl]-1-[(5-methylfuran-2-yl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(3-ethoxy-4-methoxy-benzyl)-1-[(5-methyl-2-furyl)methyl]piperazin-1-ium-2-yl]ethanol Formula: C22H33N2O4+ MolecularWeight: 389.50842

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CN2CC[NH+](C(C2)CCO)CC3=CC=C(O3)C)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)CN2CC[NH+]([C@H](C2)CCO)CC3=CC=C(O3)C)OC

InChI

InChI=1S/C22H32N2O4/c1-4-27-22-13-18(6-8-21(22)26-3)14-23-10-11-24(19(15-23)9-12-25)16-20-7-5-17(2)28-20/h5-8,13,19,25H,4,9-12,14-16H2,1-3H3/p+1/t19-/m0/s1