(2R)-2-[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]-2-thiophen-2-ylsulfonyl-ethanenitrile

Systemtic Name: (2R)-2-[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]-2-thiophen-2-ylsulfonyl-ethanenitrile Openeye Name: (2R)-2-[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]-2-(2-thienylsulfonyl)acetonitrile CAS Name: (2R)-2-[3-(4-methyl-1-piperazin-4-iumyl)-2-quinoxalinyl]-2-thiophen-2-ylsulfonylacetonitrile IUPAC Name: (2R)-2-[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]-2-thiophen-2-ylsulfonylacetonitrile Traditional Name: (2R)-2-[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]-2-(2-thienylsulfonyl)acetonitrile Formula: C19H20N5O2S2+ MolecularWeight: 414.5244

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC3=CC=CC=C3N=C2C(C#N)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC3=CC=CC=C3N=C2[C@H](C#N)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C19H19N5O2S2/c1-23-8-10-24(11-9-23)19-18(21-14-5-2-3-6-15(14)22-19)16(13-20)28(25,26)17-7-4-12-27-17/h2-7,12,16H,8-11H2,1H3/p+1/t16-/m0/s1