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

Systemtic Name: 2-[(Z)-[2-(4-ethylpiperazin-4-ium-1-yl)-4-oxidanylidene-1,3-thiazol-5-ylidene]methyl]phenolate Openeye Name: 2-[(Z)-[2-(4-ethylpiperazin-4-ium-1-yl)-4-oxo-thiazol-5-ylidene]methyl]phenolate CAS Name: 2-[(Z)-[2-(4-ethyl-1-piperazin-4-iumyl)-4-oxo-5-thiazolylidene]methyl]phenolate IUPAC Name: 2-[(Z)-[2-(4-ethylpiperazin-4-ium-1-yl)-4-oxo-1,3-thiazol-5-ylidene]methyl]phenolate Traditional Name: 2-[(Z)-[2-(4-ethylpiperazin-4-ium-1-yl)-4-keto-2-thiazolin-5-ylidene]methyl]phenolate Formula: C16H19N3O2S MolecularWeight: 317.40596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O2S/c1-2-18-7-9-19(10-8-18)16-17-15(21)14(22-16)11-12-5-3-4-6-13(12)20/h3-6,11,20H,2,7-10H2,1H3/b14-11-