(2S)-1-(1,3-benzodioxol-5-yloxy)-3-(4-ethylpiperazin-4-ium-1-yl)propan-2-ol

Systemtic Name: (2S)-1-(1,3-benzodioxol-5-yloxy)-3-(4-ethylpiperazin-4-ium-1-yl)propan-2-ol Openeye Name: (2S)-1-(1,3-benzodioxol-5-yloxy)-3-(4-ethylpiperazin-4-ium-1-yl)propan-2-ol CAS Name: (2S)-1-(1,3-benzodioxol-5-yloxy)-3-(4-ethyl-1-piperazin-4-iumyl)-2-propanol IUPAC Name: (2S)-1-(1,3-benzodioxol-5-yloxy)-3-(4-ethylpiperazin-4-ium-1-yl)propan-2-ol Traditional Name: (2S)-1-(1,3-benzodioxol-5-yloxy)-3-(4-ethylpiperazin-4-ium-1-yl)propan-2-ol Formula: C16H25N2O4+ MolecularWeight: 309.3807

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC(COC2=CC3=C(C=C2)OCO3)O

Isomeric SMILES

CC[NH+]1CCN(CC1)C[C@@H](COC2=CC3=C(C=C2)OCO3)O

InChI

InChI=1S/C16H24N2O4/c1-2-17-5-7-18(8-6-17)10-13(19)11-20-14-3-4-15-16(9-14)22-12-21-15/h3-4,9,13,19H,2,5-8,10-12H2,1H3/p+1/t13-/m0/s1