2-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]pyrimidine

Systemtic Name: 2-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]pyrimidine Openeye Name: 2-[4-(2-furylmethyl)piperazin-4-ium-1-yl]pyrimidine CAS Name: 2-[4-(2-furanylmethyl)-1-piperazin-4-iumyl]pyrimidine IUPAC Name: 2-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]pyrimidine Traditional Name: 2-[4-(2-furfuryl)piperazin-4-ium-1-yl]pyrimidine Formula: C13H17N4O+ MolecularWeight: 245.30028

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CO2)C3=NC=CC=N3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CO2)C3=NC=CC=N3

InChI

InChI=1S/C13H16N4O/c1-3-12(18-10-1)11-16-6-8-17(9-7-16)13-14-4-2-5-15-13/h1-5,10H,6-9,11H2/p+1