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

Systemtic Name: N-[(Z)-[5-bromanyl-1-[(4-methylpiperazin-4-ium-1-yl)methyl]-2-oxidanylidene-indol-3-ylidene]amino]benzamide Openeye Name: N-[(Z)-[5-bromo-1-[(4-methylpiperazin-4-ium-1-yl)methyl]-2-oxo-indolin-3-ylidene]amino]benzamide CAS Name: N-[(Z)-[5-bromo-1-[(4-methyl-1-piperazin-4-iumyl)methyl]-2-oxo-3-indolylidene]amino]benzamide IUPAC Name: N-[(Z)-[5-bromo-1-[(4-methylpiperazin-4-ium-1-yl)methyl]-2-oxoindol-3-ylidene]amino]benzamide Traditional Name: N-[(Z)-[5-bromo-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=C(C=C(C=C3)Br)C(=NNC(=O)C4=CC=CC=C4)C2=O

Isomeric SMILES

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

InChI

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