2-[[(2S)-2-(1,3-benzodioxol-5-yloxy)propanoyl]amino]ethyl-diethyl-azanium

Systemtic Name: 2-[[(2S)-2-(1,3-benzodioxol-5-yloxy)propanoyl]amino]ethyl-diethyl-azanium Openeye Name: 2-[[(2S)-2-(1,3-benzodioxol-5-yloxy)propanoyl]amino]ethyl-diethyl-ammonium CAS Name: 2-[[(2S)-2-(1,3-benzodioxol-5-yloxy)-1-oxopropyl]amino]ethyl-diethylammonium IUPAC Name: 2-[[(2S)-2-(1,3-benzodioxol-5-yloxy)propanoyl]amino]ethyl-diethylazanium Traditional Name: 2-[[(2S)-2-(1,3-benzodioxol-5-yloxy)propanoyl]amino]ethyl-diethyl-ammonium Formula: C16H25N2O4+ MolecularWeight: 309.3807

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCNC(=O)C(C)OC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CC[NH+](CC)CCNC(=O)[C@H](C)OC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C16H24N2O4/c1-4-18(5-2)9-8-17-16(19)12(3)22-13-6-7-14-15(10-13)21-11-20-14/h6-7,10,12H,4-5,8-9,11H2,1-3H3,(H,17,19)/p+1/t12-/m0/s1