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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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