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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=NC3=CC=CC=C3N=C2NC4=C(C(=C(S4)C)C)C(=O)OC

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=NC3=CC=CC=C3N=C2NC4=C(C(=C(S4)C)C)C(=O)OC

InChI

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