1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium

Systemtic Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium Openeye Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium CAS Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-(2-pyridin-1-iumyl)piperazin-1-ium IUPAC Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-pyridin-1-ium-2-ylpiperazin-1-ium Traditional Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium Formula: C18H23N3O2+2 MolecularWeight: 313.39412

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2COC3=CC=CC=C3O2)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CC[NH+]1C[C@H]2COC3=CC=CC=C3O2)C4=CC=CC=[NH+]4

InChI

InChI=1S/C18H21N3O2/c1-2-6-17-16(5-1)22-14-15(23-17)13-20-9-11-21(12-10-20)18-7-3-4-8-19-18/h1-8,15H,9-14H2/p+2/t15-/m0/s1