2-[[4-(4-methylpiperazin-1-ium-1-yl)phenyl]amino]-1,3-thiazole-4-carboxylate

Systemtic Name: 2-[[4-(4-methylpiperazin-1-ium-1-yl)phenyl]amino]-1,3-thiazole-4-carboxylate Openeye Name: 2-[4-(4-methylpiperazin-1-ium-1-yl)anilino]thiazole-4-carboxylate CAS Name: 2-[4-(4-methyl-1-piperazin-1-iumyl)anilino]-4-thiazolecarboxylate IUPAC Name: 2-[4-(4-methylpiperazin-1-ium-1-yl)anilino]-1,3-thiazole-4-carboxylate Traditional Name: 2-[4-(4-methylpiperazin-1-ium-1-yl)anilino]thiazole-4-carboxylate Formula: C15H18N4O2S MolecularWeight: 318.39402

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[NH+](CC1)C2=CC=C(C=C2)NC3=NC(=CS3)C(=O)[O-]

Isomeric SMILES

CN1CC[NH+](CC1)C2=CC=C(C=C2)NC3=NC(=CS3)C(=O)[O-]

InChI

InChI=1S/C15H18N4O2S/c1-18-6-8-19(9-7-18)12-4-2-11(3-5-12)16-15-17-13(10-22-15)14(20)21/h2-5,10H,6-9H2,1H3,(H,16,17)(H,20,21)