2-azanyl-5,6-dimethyl-4-pyridin-1-ium-4-yl-pyridine-3-carbonitrile

Systemtic Name: 2-azanyl-5,6-dimethyl-4-pyridin-1-ium-4-yl-pyridine-3-carbonitrile Openeye Name: 2-amino-5,6-dimethyl-4-pyridin-1-ium-4-yl-pyridine-3-carbonitrile CAS Name: 2-amino-5,6-dimethyl-4-(4-pyridin-1-iumyl)-3-pyridinecarbonitrile IUPAC Name: 2-amino-5,6-dimethyl-4-pyridin-1-ium-4-ylpyridine-3-carbonitrile Traditional Name: 2-amino-5,6-dimethyl-4-pyridin-1-ium-4-yl-nicotinonitrile Formula: C13H13N4+ MolecularWeight: 225.26912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=C1C2=CC=[NH+]C=C2)C#N)N)C

Isomeric SMILES

CC1=C(N=C(C(=C1C2=CC=[NH+]C=C2)C#N)N)C

InChI

InChI=1S/C13H12N4/c1-8-9(2)17-13(15)11(7-14)12(8)10-3-5-16-6-4-10/h3-6H,1-2H3,(H2,15,17)/p+1