ethyl 2-[2-(4-methylpiperazine-1,4-diium-1-yl)ethanoylamino]-1,3-thiazole-4-carboxylate

Systemtic Name: ethyl 2-[2-(4-methylpiperazine-1,4-diium-1-yl)ethanoylamino]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[2-(4-methylpiperazine-1,4-diium-1-yl)acetyl]amino]thiazole-4-carboxylate CAS Name: 2-[[2-(4-methyl-1-piperazine-1,4-diiumyl)-1-oxoethyl]amino]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-methylpiperazine-1,4-diium-1-yl)acetyl]amino]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[2-(4-methylpiperazine-1,4-diium-1-yl)acetyl]amino]thiazole-4-carboxylic acid ethyl ester Formula: C13H22N4O3S+2 MolecularWeight: 314.40378

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CSC(=N1)NC(=O)C[NH+]2CC[NH+](CC2)C

Isomeric SMILES

CCOC(=O)C1=CSC(=N1)NC(=O)C[NH+]2CC[NH+](CC2)C

InChI

InChI=1S/C13H20N4O3S/c1-3-20-12(19)10-9-21-13(14-10)15-11(18)8-17-6-4-16(2)5-7-17/h9H,3-8H2,1-2H3,(H,14,15,18)/p+2