2-nitro-4-[(E)-[4-oxidanylidene-2-(4-phenylpiperazin-4-ium-1-yl)-1,3-thiazol-5-ylidene]methyl]phenolate

Systemtic Name: 2-nitro-4-[(E)-[4-oxidanylidene-2-(4-phenylpiperazin-4-ium-1-yl)-1,3-thiazol-5-ylidene]methyl]phenolate Openeye Name: 2-nitro-4-[(E)-[4-oxo-2-(4-phenylpiperazin-4-ium-1-yl)thiazol-5-ylidene]methyl]phenolate CAS Name: 2-nitro-4-[(E)-[4-oxo-2-(4-phenyl-1-piperazin-4-iumyl)-5-thiazolylidene]methyl]phenolate IUPAC Name: 2-nitro-4-[(E)-[4-oxo-2-(4-phenylpiperazin-4-ium-1-yl)-1,3-thiazol-5-ylidene]methyl]phenolate Traditional Name: 4-[(E)-[4-keto-2-(4-phenylpiperazin-4-ium-1-yl)-2-thiazolin-5-ylidene]methyl]-2-nitro-phenolate Formula: C20H18N4O4S MolecularWeight: 410.44632

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C2=CC=CC=C2)C3=NC(=O)C(=CC4=CC(=C(C=C4)[O-])[N+](=O)[O-])S3

Isomeric SMILES

C1CN(CC[NH+]1C2=CC=CC=C2)C3=NC(=O)/C(=C\C4=CC(=C(C=C4)[O-])[N+](=O)[O-])/S3

InChI

InChI=1S/C20H18N4O4S/c25-17-7-6-14(12-16(17)24(27)28)13-18-19(26)21-20(29-18)23-10-8-22(9-11-23)15-4-2-1-3-5-15/h1-7,12-13,25H,8-11H2/b18-13+