ethyl 4,5-dimethyl-2-[[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]amino]thiophene-3-carboxylate

Systemtic Name: ethyl 4,5-dimethyl-2-[[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]amino]thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-[[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]amino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[3-(4-methyl-1-piperazin-4-iumyl)-2-quinoxalinyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-[[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]amino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C22H28N5O2S+ MolecularWeight: 426.55502

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC2=NC3=CC=CC=C3N=C2N4CC[NH+](CC4)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC2=NC3=CC=CC=C3N=C2N4CC[NH+](CC4)C

InChI

InChI=1S/C22H27N5O2S/c1-5-29-22(28)18-14(2)15(3)30-21(18)25-19-20(27-12-10-26(4)11-13-27)24-17-9-7-6-8-16(17)23-19/h6-9H,5,10-13H2,1-4H3,(H,23,25)/p+1