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

Systemtic Name: 2-[[3-(4-ethylpiperazin-4-ium-1-yl)quinoxalin-2-yl]amino]-4,5-dimethyl-thiophene-3-carbonitrile Openeye Name: 2-[[3-(4-ethylpiperazin-4-ium-1-yl)quinoxalin-2-yl]amino]-4,5-dimethyl-thiophene-3-carbonitrile CAS Name: 2-[[3-(4-ethyl-1-piperazin-4-iumyl)-2-quinoxalinyl]amino]-4,5-dimethyl-3-thiophenecarbonitrile IUPAC Name: 2-[[3-(4-ethylpiperazin-4-ium-1-yl)quinoxalin-2-yl]amino]-4,5-dimethylthiophene-3-carbonitrile Traditional Name: 2-[[3-(4-ethylpiperazin-4-ium-1-yl)quinoxalin-2-yl]amino]-4,5-dimethyl-thiophene-3-carbonitrile Formula: C21H25N6S+ MolecularWeight: 393.5284

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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#N

Isomeric SMILES

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

InChI

InChI=1S/C21H24N6S/c1-4-26-9-11-27(12-10-26)20-19(23-17-7-5-6-8-18(17)24-20)25-21-16(13-22)14(2)15(3)28-21/h5-8H,4,9-12H2,1-3H3,(H,23,25)/p+1