2-(1,4-diazepan-4-ium-1-yl)pyridin-1-ium-3-carbonitrile

Systemtic Name: 2-(1,4-diazepan-4-ium-1-yl)pyridin-1-ium-3-carbonitrile Openeye Name: 2-(1,4-diazepan-4-ium-1-yl)pyridin-1-ium-3-carbonitrile CAS Name: 2-(1,4-diazepan-4-ium-1-yl)-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-(1,4-diazepan-4-ium-1-yl)pyridin-1-ium-3-carbonitrile Traditional Name: 2-(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=C(C=CC=[NH+]2)C#N

Isomeric SMILES

C1C[NH2+]CCN(C1)C2=C(C=CC=[NH+]2)C#N

InChI

InChI=1S/C11H14N4/c12-9-10-3-1-5-14-11(10)15-7-2-4-13-6-8-15/h1,3,5,13H,2,4,6-8H2/p+2