dimethyl 5-[3-[4-(6-chloranylpyridazin-3-yl)piperazin-1-ium-1-yl]propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-[3-[4-(6-chloranylpyridazin-3-yl)piperazin-1-ium-1-yl]propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[3-[4-(6-chloropyridazin-3-yl)piperazin-1-ium-1-yl]propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[3-[4-(6-chloro-3-pyridazinyl)-1-piperazin-1-iumyl]-1-oxopropyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[3-[4-(6-chloropyridazin-3-yl)piperazin-1-ium-1-yl]propanoylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[3-[4-(6-chloropyridazin-3-yl)piperazin-1-ium-1-yl]propanoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C20H25ClN5O5S+ MolecularWeight: 482.961

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CC[NH+]2CCN(CC2)C3=NN=C(C=C3)Cl)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CC[NH+]2CCN(CC2)C3=NN=C(C=C3)Cl)C(=O)OC

InChI

InChI=1S/C20H24ClN5O5S/c1-12-16(19(28)30-2)18(32-17(12)20(29)31-3)22-15(27)6-7-25-8-10-26(11-9-25)14-5-4-13(21)23-24-14/h4-5H,6-11H2,1-3H3,(H,22,27)/p+1