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

Systemtic Name: (2S)-1-(1,3-benzodioxol-5-yloxy)-3-(4-methylpiperazin-4-ium-1-yl)propan-2-ol Openeye Name: (2S)-1-(1,3-benzodioxol-5-yloxy)-3-(4-methylpiperazin-4-ium-1-yl)propan-2-ol CAS Name: (2S)-1-(1,3-benzodioxol-5-yloxy)-3-(4-methyl-1-piperazin-4-iumyl)-2-propanol IUPAC Name: (2S)-1-(1,3-benzodioxol-5-yloxy)-3-(4-methylpiperazin-4-ium-1-yl)propan-2-ol Traditional Name: (2S)-1-(1,3-benzodioxol-5-yloxy)-3-(4-methylpiperazin-4-ium-1-yl)propan-2-ol Formula: C15H23N2O4+ MolecularWeight: 295.35412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O4/c1-16-4-6-17(7-5-16)9-12(18)10-19-13-2-3-14-15(8-13)21-11-20-14/h2-3,8,12,18H,4-7,9-11H2,1H3/p+1/t12-/m0/s1