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

Systemtic Name: N-[(E)-[5-bromanyl-1-[(4-methylpiperazin-4-ium-1-yl)methyl]-2-oxidanylidene-indol-3-ylidene]amino]pyridine-3-carboxamide Openeye Name: N-[(E)-[5-bromo-1-[(4-methylpiperazin-4-ium-1-yl)methyl]-2-oxo-indolin-3-ylidene]amino]pyridine-3-carboxamide CAS Name: N-[(E)-[5-bromo-1-[(4-methyl-1-piperazin-4-iumyl)methyl]-2-oxo-3-indolylidene]amino]-3-pyridinecarboxamide IUPAC Name: N-[(E)-[5-bromo-1-[(4-methylpiperazin-4-ium-1-yl)methyl]-2-oxoindol-3-ylidene]amino]pyridine-3-carboxamide Traditional Name: N-[(E)-[5-bromo-2-keto-1-[(4-methylpiperazin-4-ium-1-yl)methyl]indolin-3-ylidene]amino]nicotinamide 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=CN=CC=C4)C2=O

Isomeric SMILES

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

InChI

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