2-[(2S)-4-[[5-(methoxymethyl)furan-2-yl]methyl]-1-phenethyl-piperazin-4-ium-2-yl]ethanol

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

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=CC=C(O1)C[NH+]2CCN(C(C2)CCO)CCC3=CC=CC=C3

Isomeric SMILES

COCC1=CC=C(O1)C[NH+]2CCN([C@H](C2)CCO)CCC3=CC=CC=C3

InChI

InChI=1S/C21H30N2O3/c1-25-17-21-8-7-20(26-21)16-22-12-13-23(19(15-22)10-14-24)11-9-18-5-3-2-4-6-18/h2-8,19,24H,9-17H2,1H3/p+1/t19-/m0/s1