5-bromanyl-2-[4-[(7-methyl-3-propyl-imidazo[4,5-b]pyridin-3-ium-3-yl)methyl]phenyl]-1-propyl-pyrrole-3-carbonitrile

Systemtic Name: 5-bromanyl-2-[4-[(7-methyl-3-propyl-imidazo[4,5-b]pyridin-3-ium-3-yl)methyl]phenyl]-1-propyl-pyrrole-3-carbonitrile Openeye Name: 5-bromo-2-[4-[(7-methyl-3-propyl-imidazo[4,5-b]pyridin-3-ium-3-yl)methyl]phenyl]-1-propyl-pyrrole-3-carbonitrile CAS Name: 5-bromo-2-[4-[(7-methyl-3-propyl-3-imidazo[4,5-b]pyridin-3-iumyl)methyl]phenyl]-1-propyl-3-pyrrolecarbonitrile IUPAC Name: 5-bromo-2-[4-[(7-methyl-3-propylimidazo[4,5-b]pyridin-3-ium-3-yl)methyl]phenyl]-1-propylpyrrole-3-carbonitrile Traditional Name: 5-bromo-2-[4-[(7-methyl-3-propyl-imidazo[4,5-b]pyridin-3-ium-3-yl)methyl]phenyl]-1-propyl-pyrrole-3-carbonitrile Formula: C25H27BrN5+ MolecularWeight: 477.41938

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C2=CC=C(C=C2)C[N+]3(C=NC4=C(C=CN=C43)C)CCC)C#N)Br

Isomeric SMILES

CCCN1C(=CC(=C1C2=CC=C(C=C2)C[N+]3(C=NC4=C(C=CN=C43)C)CCC)C#N)Br

InChI

InChI=1S/C25H27BrN5/c1-4-12-30-22(26)14-21(15-27)24(30)20-8-6-19(7-9-20)16-31(13-5-2)17-29-23-18(3)10-11-28-25(23)31/h6-11,14,17H,4-5,12-13,16H2,1-3H3/q+1