N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-ethyl-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-ethyl-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-ethyl-2-(3-oxopiperazin-1-ium-1-yl)acetamide CAS Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-ethyl-2-(3-oxo-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-ethyl-2-(3-oxopiperazin-1-ium-1-yl)acetamide Traditional Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-ethyl-2-(3-ketopiperazin-1-ium-1-yl)acetamide Formula: C17H24N3O4+ MolecularWeight: 334.39016

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1COC2=CC=CC=C2O1)C(=O)C[NH+]3CCNC(=O)C3

Isomeric SMILES

CCN(C[C@H]1COC2=CC=CC=C2O1)C(=O)C[NH+]3CCNC(=O)C3

InChI

InChI=1S/C17H23N3O4/c1-2-20(17(22)11-19-8-7-18-16(21)10-19)9-13-12-23-14-5-3-4-6-15(14)24-13/h3-6,13H,2,7-12H2,1H3,(H,18,21)/p+1/t13-/m0/s1