2-azanyl-4-(cyanomethyl)-6-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]pyridin-1-ium-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-4-(cyanomethyl)-6-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-4-(cyanomethyl)-6-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-4-(cyanomethyl)-6-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-4-(cyanomethyl)-6-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]pyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-4-(cyanomethyl)-6-[4-(2-nitrophenyl)sulfonylpiperazino]pyridin-1-ium-3,5-dicarbonitrile Formula: C19H17N8O4S+ MolecularWeight: 453.45448

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=[NH+]C(=C(C(=C2C#N)CC#N)C#N)N)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=[NH+]C(=C(C(=C2C#N)CC#N)C#N)N)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C19H16N8O4S/c20-6-5-13-14(11-21)18(23)24-19(15(13)12-22)25-7-9-26(10-8-25)32(30,31)17-4-2-1-3-16(17)27(28)29/h1-4H,5,7-10H2,(H2,23,24)/p+1