2-[[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

Systemtic Name: 2-[[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Openeye Name: 2-[[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile CAS Name: 2-[[3-(4-methyl-1-piperazin-4-iumyl)-2-quinoxalinyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile IUPAC Name: 2-[[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Traditional Name: 2-[[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile Formula: C22H25N6S+ MolecularWeight: 405.5391

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC3=CC=CC=C3N=C2NC4=C(C5=C(S4)CCCC5)C#N

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC3=CC=CC=C3N=C2NC4=C(C5=C(S4)CCCC5)C#N

InChI

InChI=1S/C22H24N6S/c1-27-10-12-28(13-11-27)21-20(24-17-7-3-4-8-18(17)25-21)26-22-16(14-23)15-6-2-5-9-19(15)29-22/h3-4,7-8H,2,5-6,9-13H2,1H3,(H,24,26)/p+1