2-azanyl-4-(3-bromophenyl)-6-methyl-pyridin-1-ium-3-carbonitrile

Systemtic Name: 2-azanyl-4-(3-bromophenyl)-6-methyl-pyridin-1-ium-3-carbonitrile Openeye Name: 2-amino-4-(3-bromophenyl)-6-methyl-pyridin-1-ium-3-carbonitrile CAS Name: 2-amino-4-(3-bromophenyl)-6-methyl-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-amino-4-(3-bromophenyl)-6-methylpyridin-1-ium-3-carbonitrile Traditional Name: 2-amino-4-(3-bromophenyl)-6-methyl-pyridin-1-ium-3-carbonitrile Formula: C13H11BrN3+ MolecularWeight: 289.15054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C(=C(C(=C1)C2=CC(=CC=C2)Br)C#N)N

Isomeric SMILES

CC1=[NH+]C(=C(C(=C1)C2=CC(=CC=C2)Br)C#N)N

InChI

InChI=1S/C13H10BrN3/c1-8-5-11(12(7-15)13(16)17-8)9-3-2-4-10(14)6-9/h2-6H,1H3,(H2,16,17)/p+1