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

Systemtic Name: 2-bromanyl-N-[(Z)-[1-[(4-methylpiperazin-4-ium-1-yl)methyl]-2-oxidanylidene-indol-3-ylidene]amino]benzamide Openeye Name: 2-bromo-N-[(Z)-[1-[(4-methylpiperazin-4-ium-1-yl)methyl]-2-oxo-indolin-3-ylidene]amino]benzamide CAS Name: 2-bromo-N-[(Z)-[1-[(4-methyl-1-piperazin-4-iumyl)methyl]-2-oxo-3-indolylidene]amino]benzamide IUPAC Name: 2-bromo-N-[(Z)-[1-[(4-methylpiperazin-4-ium-1-yl)methyl]-2-oxoindol-3-ylidene]amino]benzamide Traditional Name: 2-bromo-N-[(Z)-[2-keto-1-[(4-methylpiperazin-4-ium-1-yl)methyl]indolin-3-ylidene]amino]benzamide Formula: C21H23BrN5O2+ MolecularWeight: 457.34362

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CN2C3=CC=CC=C3C(=NNC(=O)C4=CC=CC=C4Br)C2=O

Isomeric SMILES

C[NH+]1CCN(CC1)CN2C3=CC=CC=C3/C(=N/NC(=O)C4=CC=CC=C4Br)/C2=O

InChI

InChI=1S/C21H22BrN5O2/c1-25-10-12-26(13-11-25)14-27-18-9-5-3-7-16(18)19(21(27)29)23-24-20(28)15-6-2-4-8-17(15)22/h2-9H,10-14H2,1H3,(H,24,28)/p+1/b23-19-