1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-methyl-piperazine-1,4-diium

Systemtic Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-methyl-piperazine-1,4-diium Openeye Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-methyl-piperazine-1,4-diium CAS Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-methylpiperazine-1,4-diium IUPAC Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-methylpiperazine-1,4-diium Traditional Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-methyl-piperazine-1,4-diium Formula: C14H22N2O2+2 MolecularWeight: 250.33668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O2/c1-15-6-8-16(9-7-15)10-12-11-17-13-4-2-3-5-14(13)18-12/h2-5,12H,6-11H2,1H3/p+2/t12-/m0/s1