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

Systemtic Name: 2-ethoxy-4-[(E)-[2-(4-methylpiperazin-1-ium-1-yl)-4-oxidanylidene-1,3-thiazol-5-ylidene]methyl]phenolate Openeye Name: 2-ethoxy-4-[(E)-[2-(4-methylpiperazin-1-ium-1-yl)-4-oxo-thiazol-5-ylidene]methyl]phenolate CAS Name: 2-ethoxy-4-[(E)-[2-(4-methyl-1-piperazin-1-iumyl)-4-oxo-5-thiazolylidene]methyl]phenolate IUPAC Name: 2-ethoxy-4-[(E)-[2-(4-methylpiperazin-1-ium-1-yl)-4-oxo-1,3-thiazol-5-ylidene]methyl]phenolate Traditional Name: 2-ethoxy-4-[(E)-[4-keto-2-(4-methylpiperazin-1-ium-1-yl)-2-thiazolin-5-ylidene]methyl]phenolate Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C2C(=O)N=C(S2)[NH+]3CCN(CC3)C)[O-]

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C/2\C(=O)N=C(S2)[NH+]3CCN(CC3)C)[O-]

InChI

InChI=1S/C17H21N3O3S/c1-3-23-14-10-12(4-5-13(14)21)11-15-16(22)18-17(24-15)20-8-6-19(2)7-9-20/h4-5,10-11,21H,3,6-9H2,1-2H3/b15-11+