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

Systemtic Name: 2-methoxy-4-[(Z)-[2-[4-(4-methylphenyl)piperazin-4-ium-1-yl]-4-oxidanylidene-1,3-thiazol-5-ylidene]methyl]phenolate Openeye Name: 2-methoxy-4-[(Z)-[4-oxo-2-[4-(p-tolyl)piperazin-4-ium-1-yl]thiazol-5-ylidene]methyl]phenolate CAS Name: 2-methoxy-4-[(Z)-[2-[4-(4-methylphenyl)-1-piperazin-4-iumyl]-4-oxo-5-thiazolylidene]methyl]phenolate IUPAC Name: 2-methoxy-4-[(Z)-[2-[4-(4-methylphenyl)piperazin-4-ium-1-yl]-4-oxo-1,3-thiazol-5-ylidene]methyl]phenolate Traditional Name: 4-[(Z)-[4-keto-2-[4-(p-tolyl)piperazin-4-ium-1-yl]-2-thiazolin-5-ylidene]methyl]-2-methoxy-phenolate Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[NH+]2CCN(CC2)C3=NC(=O)C(=CC4=CC(=C(C=C4)[O-])OC)S3

Isomeric SMILES

CC1=CC=C(C=C1)[NH+]2CCN(CC2)C3=NC(=O)/C(=C/C4=CC(=C(C=C4)[O-])OC)/S3

InChI

InChI=1S/C22H23N3O3S/c1-15-3-6-17(7-4-15)24-9-11-25(12-10-24)22-23-21(27)20(29-22)14-16-5-8-18(26)19(13-16)28-2/h3-8,13-14,26H,9-12H2,1-2H3/b20-14-