6-(1,4-diazepan-4-ium-1-yl)pyridin-1-ium-3-carbonitrile

Systemtic Name: 6-(1,4-diazepan-4-ium-1-yl)pyridin-1-ium-3-carbonitrile Openeye Name: 6-(1,4-diazepan-4-ium-1-yl)pyridin-1-ium-3-carbonitrile CAS Name: 6-(1,4-diazepan-4-ium-1-yl)-3-pyridin-1-iumcarbonitrile IUPAC Name: 6-(1,4-diazepan-4-ium-1-yl)pyridin-1-ium-3-carbonitrile Traditional Name: 6-(1,4-diazepan-4-ium-1-yl)pyridin-1-ium-3-carbonitrile Formula: C11H16N4+2 MolecularWeight: 204.27154

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)C2=[NH+]C=C(C=C2)C#N

Isomeric SMILES

C1C[NH2+]CCN(C1)C2=[NH+]C=C(C=C2)C#N

InChI

InChI=1S/C11H14N4/c12-8-10-2-3-11(14-9-10)15-6-1-4-13-5-7-15/h2-3,9,13H,1,4-7H2/p+2