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

Systemtic Name: (2S)-1-(1,3-benzodioxol-5-ylmethoxy)-3-(4-ethylpiperazin-4-ium-1-yl)propan-2-ol Openeye Name: (2S)-1-(1,3-benzodioxol-5-ylmethoxy)-3-(4-ethylpiperazin-4-ium-1-yl)propan-2-ol CAS Name: (2S)-1-(1,3-benzodioxol-5-ylmethoxy)-3-(4-ethyl-1-piperazin-4-iumyl)-2-propanol IUPAC Name: (2S)-1-(1,3-benzodioxol-5-ylmethoxy)-3-(4-ethylpiperazin-4-ium-1-yl)propan-2-ol Traditional Name: (2S)-1-(4-ethylpiperazin-4-ium-1-yl)-3-piperonyloxy-propan-2-ol Formula: C17H27N2O4+ MolecularWeight: 323.40728

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC(COCC2=CC3=C(C=C2)OCO3)O

Isomeric SMILES

CC[NH+]1CCN(CC1)C[C@@H](COCC2=CC3=C(C=C2)OCO3)O

InChI

InChI=1S/C17H26N2O4/c1-2-18-5-7-19(8-6-18)10-15(20)12-21-11-14-3-4-16-17(9-14)23-13-22-16/h3-4,9,15,20H,2,5-8,10-13H2,1H3/p+1/t15-/m0/s1