1-(2-bromanyl-4-propan-2-yl-phenyl)-6-methyl-7-oxidanidyl-pyrrolo[2,3-b]pyridin-7-ium-3-carbonitrile

Systemtic Name: 1-(2-bromanyl-4-propan-2-yl-phenyl)-6-methyl-7-oxidanidyl-pyrrolo[2,3-b]pyridin-7-ium-3-carbonitrile Openeye Name: 1-(2-bromo-4-isopropyl-phenyl)-6-methyl-7-oxido-pyrrolo[2,3-b]pyridin-7-ium-3-carbonitrile CAS Name: 1-(2-bromo-4-propan-2-ylphenyl)-6-methyl-7-oxido-3-pyrrolo[2,3-b]pyridin-7-iumcarbonitrile IUPAC Name: 1-(2-bromo-4-propan-2-ylphenyl)-6-methyl-7-oxidopyrrolo[2,3-b]pyridin-7-ium-3-carbonitrile Traditional Name: 1-(2-bromo-4-isopropyl-phenyl)-6-methyl-7-oxido-pyrrolo[2,3-b]pyridin-7-ium-3-carbonitrile Formula: C18H16BrN3O MolecularWeight: 370.24314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(C=C1)C(=CN2C3=C(C=C(C=C3)C(C)C)Br)C#N)[O-]

Isomeric SMILES

CC1=[N+](C2=C(C=C1)C(=CN2C3=C(C=C(C=C3)C(C)C)Br)C#N)[O-]

InChI

InChI=1S/C18H16BrN3O/c1-11(2)13-5-7-17(16(19)8-13)21-10-14(9-20)15-6-4-12(3)22(23)18(15)21/h4-8,10-11H,1-3H3