N-[(E)-[5-bromanyl-1-[(4-methylpiperazin-4-ium-1-yl)methyl]-2-oxidanylidene-indol-3-ylidene]amino]-4-fluoranyl-benzamide

Systemtic Name: N-[(E)-[5-bromanyl-1-[(4-methylpiperazin-4-ium-1-yl)methyl]-2-oxidanylidene-indol-3-ylidene]amino]-4-fluoranyl-benzamide Openeye Name: N-[(E)-[5-bromo-1-[(4-methylpiperazin-4-ium-1-yl)methyl]-2-oxo-indolin-3-ylidene]amino]-4-fluoro-benzamide CAS Name: N-[(E)-[5-bromo-1-[(4-methyl-1-piperazin-4-iumyl)methyl]-2-oxo-3-indolylidene]amino]-4-fluorobenzamide IUPAC Name: N-[(E)-[5-bromo-1-[(4-methylpiperazin-4-ium-1-yl)methyl]-2-oxoindol-3-ylidene]amino]-4-fluorobenzamide Traditional Name: N-[(E)-[5-bromo-2-keto-1-[(4-methylpiperazin-4-ium-1-yl)methyl]indolin-3-ylidene]amino]-4-fluoro-benzamide Formula: C21H22BrFN5O2+ MolecularWeight: 475.334083

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CN2C3=C(C=C(C=C3)Br)C(=NNC(=O)C4=CC=C(C=C4)F)C2=O

Isomeric SMILES

C[NH+]1CCN(CC1)CN2C3=C(C=C(C=C3)Br)/C(=N\NC(=O)C4=CC=C(C=C4)F)/C2=O

InChI

InChI=1S/C21H21BrFN5O2/c1-26-8-10-27(11-9-26)13-28-18-7-4-15(22)12-17(18)19(21(28)30)24-25-20(29)14-2-5-16(23)6-3-14/h2-7,12H,8-11,13H2,1H3,(H,25,29)/p+1/b24-19+