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

Systemtic Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2-(3-oxopiperazin-1-ium-1-yl)acetamide CAS Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2-(3-oxo-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2-(3-oxopiperazin-1-ium-1-yl)acetamide Traditional Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(3-ketopiperazin-1-ium-1-yl)-N-methyl-acetamide Formula: C16H22N3O4+ MolecularWeight: 320.36358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O4/c1-18(16(21)10-19-7-6-17-15(20)9-19)8-12-11-22-13-4-2-3-5-14(13)23-12/h2-5,12H,6-11H2,1H3,(H,17,20)/p+1/t12-/m0/s1