2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrimidine

Systemtic Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrimidine Openeye Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrimidine CAS Name: 2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]pyrimidine IUPAC Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrimidine Traditional Name: 2-(4-pyridin-1-ium-2-ylpiperazino)pyrimidine Formula: C13H16N5+ MolecularWeight: 242.29964

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C3=NC=CC=N3

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C3=NC=CC=N3

InChI

InChI=1S/C13H15N5/c1-2-5-14-12(4-1)17-8-10-18(11-9-17)13-15-6-3-7-16-13/h1-7H,8-11H2/p+1