2-[(2-azanyl-5-bromanyl-pyridin-1-ium-1-yl)methyl]benzenecarbonitrile

Systemtic Name: 2-[(2-azanyl-5-bromanyl-pyridin-1-ium-1-yl)methyl]benzenecarbonitrile Openeye Name: 2-[(2-amino-5-bromo-pyridin-1-ium-1-yl)methyl]benzonitrile CAS Name: 2-[(2-amino-5-bromo-1-pyridin-1-iumyl)methyl]benzonitrile IUPAC Name: 2-[(2-amino-5-bromopyridin-1-ium-1-yl)methyl]benzonitrile Traditional Name: 2-[(2-amino-5-bromo-pyridin-1-ium-1-yl)methyl]benzonitrile Formula: C13H11BrN3+ MolecularWeight: 289.15054

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C[N+]2=C(C=CC(=C2)Br)N)C#N

Isomeric SMILES

C1=CC=C(C(=C1)C[N+]2=C(C=CC(=C2)Br)N)C#N

InChI

InChI=1S/C13H10BrN3/c14-12-5-6-13(16)17(9-12)8-11-4-2-1-3-10(11)7-15/h1-6,9,16H,8H2/p+1