[azanyl-[2-(4-pyrimidin-2-ylpiperazin-1-yl)pyridin-1-ium-4-yl]methylidene]azanium

Systemtic Name: [azanyl-[2-(4-pyrimidin-2-ylpiperazin-1-yl)pyridin-1-ium-4-yl]methylidene]azanium Openeye Name: [amino-[2-(4-pyrimidin-2-ylpiperazin-1-yl)pyridin-1-ium-4-yl]methylene]ammonium CAS Name: [amino-[2-[4-(2-pyrimidinyl)-1-piperazinyl]-4-pyridin-1-iumyl]methylidene]ammonium IUPAC Name: [amino-[2-(4-pyrimidin-2-ylpiperazin-1-yl)pyridin-1-ium-4-yl]methylidene]azanium Traditional Name: [amino-[2-[4-(2-pyrimidyl)piperazino]pyridin-1-ium-4-yl]methylene]ammonium Formula: C14H19N7+2 MolecularWeight: 285.34756

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=[NH+]C=CC(=C2)C(=[NH2+])N)C3=NC=CC=N3

Isomeric SMILES

C1CN(CCN1C2=[NH+]C=CC(=C2)C(=[NH2+])N)C3=NC=CC=N3

InChI

InChI=1S/C14H17N7/c15-13(16)11-2-5-17-12(10-11)20-6-8-21(9-7-20)14-18-3-1-4-19-14/h1-5,10H,6-9H2,(H3,15,16)/p+2