2-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]pyrimidine

Systemtic Name: 2-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]pyrimidine Openeye Name: 2-[4-(3-pyridylmethyl)piperazin-4-ium-1-yl]pyrimidine CAS Name: 2-[4-(3-pyridinylmethyl)-1-piperazin-4-iumyl]pyrimidine IUPAC Name: 2-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]pyrimidine Traditional Name: 2-[4-(3-pyridylmethyl)piperazin-4-ium-1-yl]pyrimidine Formula: C14H18N5+ MolecularWeight: 256.32622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N5/c1-3-13(11-15-4-1)12-18-7-9-19(10-8-18)14-16-5-2-6-17-14/h1-6,11H,7-10,12H2/p+1