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

Systemtic Name: N-[(E)-[5-bromanyl-1-[(4-methylpiperazin-4-ium-1-yl)methyl]-2-oxidanylidene-indol-3-ylidene]amino]pyridine-4-carboxamide Openeye Name: N-[(E)-[5-bromo-1-[(4-methylpiperazin-4-ium-1-yl)methyl]-2-oxo-indolin-3-ylidene]amino]pyridine-4-carboxamide CAS Name: N-[(E)-[5-bromo-1-[(4-methyl-1-piperazin-4-iumyl)methyl]-2-oxo-3-indolylidene]amino]-4-pyridinecarboxamide IUPAC Name: N-[(E)-[5-bromo-1-[(4-methylpiperazin-4-ium-1-yl)methyl]-2-oxoindol-3-ylidene]amino]pyridine-4-carboxamide Traditional Name: N-[(E)-[5-bromo-2-keto-1-[(4-methylpiperazin-4-ium-1-yl)methyl]indolin-3-ylidene]amino]isonicotinamide Formula: C20H22BrN6O2+ MolecularWeight: 458.33168

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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=NC=C4)C2=O

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrN6O2/c1-25-8-10-26(11-9-25)13-27-17-3-2-15(21)12-16(17)18(20(27)29)23-24-19(28)14-4-6-22-7-5-14/h2-7,12H,8-11,13H2,1H3,(H,24,28)/p+1/b23-18+