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

Systemtic Name: methyl 4-[(Z)-[2-(4-methylpiperazin-4-ium-1-yl)-4-oxidanylidene-1,3-thiazol-5-ylidene]methyl]benzoate Openeye Name: methyl 4-[(Z)-[2-(4-methylpiperazin-4-ium-1-yl)-4-oxo-thiazol-5-ylidene]methyl]benzoate CAS Name: 4-[(Z)-[2-(4-methyl-1-piperazin-4-iumyl)-4-oxo-5-thiazolylidene]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(Z)-[2-(4-methylpiperazin-4-ium-1-yl)-4-oxo-1,3-thiazol-5-ylidene]methyl]benzoate Traditional Name: 4-[(Z)-[4-keto-2-(4-methylpiperazin-4-ium-1-yl)-2-thiazolin-5-ylidene]methyl]benzoic acid methyl ester Formula: C17H20N3O3S+ MolecularWeight: 346.424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O3S/c1-19-7-9-20(10-8-19)17-18-15(21)14(24-17)11-12-3-5-13(6-4-12)16(22)23-2/h3-6,11H,7-10H2,1-2H3/p+1/b14-11-