2-[4-[(6-chloranylpyridin-3-yl)methyl]piperazin-4-ium-1-yl]pyrimidine

Systemtic Name: 2-[4-[(6-chloranylpyridin-3-yl)methyl]piperazin-4-ium-1-yl]pyrimidine Openeye Name: 2-[4-[(6-chloro-3-pyridyl)methyl]piperazin-4-ium-1-yl]pyrimidine CAS Name: 2-[4-[(6-chloro-3-pyridinyl)methyl]-1-piperazin-4-iumyl]pyrimidine IUPAC Name: 2-[4-[(6-chloropyridin-3-yl)methyl]piperazin-4-ium-1-yl]pyrimidine Traditional Name: 2-[4-[(6-chloro-3-pyridyl)methyl]piperazin-4-ium-1-yl]pyrimidine Formula: C14H17ClN5+ MolecularWeight: 290.77128

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CN=C(C=C2)Cl)C3=NC=CC=N3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CN=C(C=C2)Cl)C3=NC=CC=N3

InChI

InChI=1S/C14H16ClN5/c15-13-3-2-12(10-18-13)11-19-6-8-20(9-7-19)14-16-4-1-5-17-14/h1-5,10H,6-9,11H2/p+1