2-methoxy-5-[(Z)-[2-(4-methylpiperazin-4-ium-1-yl)-4-oxidanylidene-1,3-thiazol-5-ylidene]methyl]phenolate

Systemtic Name: 2-methoxy-5-[(Z)-[2-(4-methylpiperazin-4-ium-1-yl)-4-oxidanylidene-1,3-thiazol-5-ylidene]methyl]phenolate Openeye Name: 2-methoxy-5-[(Z)-[2-(4-methylpiperazin-4-ium-1-yl)-4-oxo-thiazol-5-ylidene]methyl]phenolate CAS Name: 2-methoxy-5-[(Z)-[2-(4-methyl-1-piperazin-4-iumyl)-4-oxo-5-thiazolylidene]methyl]phenolate IUPAC Name: 2-methoxy-5-[(Z)-[2-(4-methylpiperazin-4-ium-1-yl)-4-oxo-1,3-thiazol-5-ylidene]methyl]phenolate Traditional Name: 5-[(Z)-[4-keto-2-(4-methylpiperazin-4-ium-1-yl)-2-thiazolin-5-ylidene]methyl]-2-methoxy-phenolate Formula: C16H19N3O3S MolecularWeight: 333.40536

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC(=O)C(=CC3=CC(=C(C=C3)OC)[O-])S2

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC(=O)/C(=C/C3=CC(=C(C=C3)OC)[O-])/S2

InChI

InChI=1S/C16H19N3O3S/c1-18-5-7-19(8-6-18)16-17-15(21)14(23-16)10-11-3-4-13(22-2)12(20)9-11/h3-4,9-10,20H,5-8H2,1-2H3/b14-10-