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

Systemtic Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-propan-2-yl-piperazine-1,4-diium Openeye Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-isopropyl-piperazine-1,4-diium CAS Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-propan-2-ylpiperazine-1,4-diium IUPAC Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-propan-2-ylpiperazine-1,4-diium Traditional Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-isopropyl-piperazine-1,4-diium Formula: C16H26N2O2+2 MolecularWeight: 278.38984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O2/c1-13(2)18-9-7-17(8-10-18)11-14-12-19-15-5-3-4-6-16(15)20-14/h3-6,13-14H,7-12H2,1-2H3/p+2/t14-/m0/s1