(2Z)-3-(4-methylpiperazin-4-ium-1-yl)-3-oxidanylidene-2-(2-oxidanylidene-1H-indol-3-ylidene)propanenitrile

Systemtic Name: (2Z)-3-(4-methylpiperazin-4-ium-1-yl)-3-oxidanylidene-2-(2-oxidanylidene-1H-indol-3-ylidene)propanenitrile Openeye Name: (2Z)-3-(4-methylpiperazin-4-ium-1-yl)-3-oxo-2-(2-oxoindolin-3-ylidene)propanenitrile CAS Name: (2Z)-3-(4-methyl-1-piperazin-4-iumyl)-3-oxo-2-(2-oxo-1H-indol-3-ylidene)propanenitrile IUPAC Name: (2Z)-3-(4-methylpiperazin-4-ium-1-yl)-3-oxo-2-(2-oxo-1H-indol-3-ylidene)propanenitrile Traditional Name: (2Z)-3-keto-2-(2-ketoindolin-3-ylidene)-3-(4-methylpiperazin-4-ium-1-yl)propionitrile Formula: C16H17N4O2+ MolecularWeight: 297.33178

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C(=C2C3=CC=CC=C3NC2=O)C#N

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)/C(=C\2/C3=CC=CC=C3NC2=O)/C#N

InChI

InChI=1S/C16H16N4O2/c1-19-6-8-20(9-7-19)16(22)12(10-17)14-11-4-2-3-5-13(11)18-15(14)21/h2-5H,6-9H2,1H3,(H,18,21)/p+1/b14-12-