3-azanyl-3-[4-(6-chloranylpyridin-2-yl)piperazin-1-ium-1-ylidene]propanenitrile

Systemtic Name: 3-azanyl-3-[4-(6-chloranylpyridin-2-yl)piperazin-1-ium-1-ylidene]propanenitrile Openeye Name: 3-amino-3-[4-(6-chloro-2-pyridyl)piperazin-1-ium-1-ylidene]propanenitrile CAS Name: 3-amino-3-[4-(6-chloro-2-pyridinyl)-1-piperazin-1-iumylidene]propanenitrile IUPAC Name: 3-amino-3-[4-(6-chloropyridin-2-yl)piperazin-1-ium-1-ylidene]propanenitrile Traditional Name: 3-amino-3-[4-(6-chloro-2-pyridyl)piperazin-1-ium-1-ylidene]propionitrile Formula: C12H15ClN5+ MolecularWeight: 264.734

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](=C(CC#N)N)CCN1C2=NC(=CC=C2)Cl

Isomeric SMILES

C1C[N+](=C(CC#N)N)CCN1C2=NC(=CC=C2)Cl

InChI

InChI=1S/C12H14ClN5/c13-10-2-1-3-12(16-10)18-8-6-17(7-9-18)11(15)4-5-14/h1-3,15H,4,6-9H2/p+1