2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-1-(4-methylpiperazin-4-ium-1-yl)ethanone

Systemtic Name: 2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-1-(4-methylpiperazin-4-ium-1-yl)ethanone Openeye Name: 2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-1-(4-methylpiperazin-4-ium-1-yl)ethanone CAS Name: 2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-1-(4-methyl-1-piperazin-4-iumyl)ethanone IUPAC Name: 2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-1-(4-methylpiperazin-4-ium-1-yl)ethanone Traditional Name: 2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-1-(4-methylpiperazin-4-ium-1-yl)ethanone Formula: C15H21N2O3+ MolecularWeight: 277.33884

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CC2COC3=CC=CC=C3O2

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C[C@H]2COC3=CC=CC=C3O2

InChI

InChI=1S/C15H20N2O3/c1-16-6-8-17(9-7-16)15(18)10-12-11-19-13-4-2-3-5-14(13)20-12/h2-5,12H,6-11H2,1H3/p+1/t12-/m0/s1