5-bromanyl-N'-(3,3-dimethyl-4H-isoquinolin-2-ium-1-yl)furan-2-carbohydrazide

Systemtic Name: 5-bromanyl-N'-(3,3-dimethyl-4H-isoquinolin-2-ium-1-yl)furan-2-carbohydrazide Openeye Name: 5-bromo-N'-(3,3-dimethyl-4H-isoquinolin-2-ium-1-yl)furan-2-carbohydrazide CAS Name: 5-bromo-N'-(3,3-dimethyl-4H-isoquinolin-2-ium-1-yl)-2-furancarbohydrazide IUPAC Name: 5-bromo-N'-(3,3-dimethyl-4H-isoquinolin-2-ium-1-yl)furan-2-carbohydrazide Traditional Name: 5-bromo-N'-(3,3-dimethyl-4H-isoquinolin-2-ium-1-yl)-2-furohydrazide Formula: C16H17BrN3O2+ MolecularWeight: 363.22908

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C(=[NH+]1)NNC(=O)C3=CC=C(O3)Br)C

Isomeric SMILES

CC1(CC2=CC=CC=C2C(=[NH+]1)NNC(=O)C3=CC=C(O3)Br)C

InChI

InChI=1S/C16H16BrN3O2/c1-16(2)9-10-5-3-4-6-11(10)14(18-16)19-20-15(21)12-7-8-13(17)22-12/h3-8H,9H2,1-2H3,(H,18,19)(H,20,21)/p+1