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

Systemtic Name: (2R)-2-[3-[4-(phenylmethyl)piperazin-4-ium-1-yl]quinoxalin-2-yl]-2-thiophen-2-ylsulfonyl-ethanenitrile Openeye Name: (2R)-2-[3-(4-benzylpiperazin-4-ium-1-yl)quinoxalin-2-yl]-2-(2-thienylsulfonyl)acetonitrile CAS Name: (2R)-2-[3-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-quinoxalinyl]-2-thiophen-2-ylsulfonylacetonitrile IUPAC Name: (2R)-2-[3-(4-benzylpiperazin-4-ium-1-yl)quinoxalin-2-yl]-2-thiophen-2-ylsulfonylacetonitrile Traditional Name: (2R)-2-[3-(4-benzylpiperazin-4-ium-1-yl)quinoxalin-2-yl]-2-(2-thienylsulfonyl)acetonitrile Formula: C25H24N5O2S2+ MolecularWeight: 490.62036

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=NC4=CC=CC=C4N=C3C(C#N)S(=O)(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=NC4=CC=CC=C4N=C3[C@H](C#N)S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C25H23N5O2S2/c26-17-22(34(31,32)23-11-6-16-33-23)24-25(28-21-10-5-4-9-20(21)27-24)30-14-12-29(13-15-30)18-19-7-2-1-3-8-19/h1-11,16,22H,12-15,18H2/p+1/t22-/m0/s1