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

Systemtic Name: 2-[4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperazin-4-ium-1-yl]pyrimidine Openeye Name: 2-[4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperazin-4-ium-1-yl]pyrimidine CAS Name: 2-[4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-piperazin-4-iumyl]pyrimidine IUPAC Name: 2-[4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperazin-4-ium-1-yl]pyrimidine Traditional Name: 2-[4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperazin-4-ium-1-yl]pyrimidine Formula: C17H21N4O2+ MolecularWeight: 313.37424

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2COC3=CC=CC=C3O2)C4=NC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1C[C@@H]2COC3=CC=CC=C3O2)C4=NC=CC=N4

InChI

InChI=1S/C17H20N4O2/c1-2-5-16-15(4-1)22-13-14(23-16)12-20-8-10-21(11-9-20)17-18-6-3-7-19-17/h1-7,14H,8-13H2/p+1/t14-/m1/s1