1-[[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-nitro-2-oxidanylidene-pyridine-3-carbonitrile

Systemtic Name: 1-[[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-nitro-2-oxidanylidene-pyridine-3-carbonitrile Openeye Name: 1-[[4-[(5-bromo-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]methyl]-5-nitro-2-oxo-pyridine-3-carbonitrile CAS Name: 1-[[4-[(5-bromo-2-thiophenyl)sulfonyl]-1-piperazin-1-iumyl]methyl]-5-nitro-2-oxo-3-pyridinecarbonitrile IUPAC Name: 1-[[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-nitro-2-oxopyridine-3-carbonitrile Traditional Name: 1-[[4-[(5-bromo-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]methyl]-2-keto-5-nitro-nicotinonitrile Formula: C15H15BrN5O5S2+ MolecularWeight: 489.3441

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C=C(C=C(C2=O)C#N)[N+](=O)[O-])S(=O)(=O)C3=CC=C(S3)Br

Isomeric SMILES

C1CN(CC[NH+]1CN2C=C(C=C(C2=O)C#N)[N+](=O)[O-])S(=O)(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C15H14BrN5O5S2/c16-13-1-2-14(27-13)28(25,26)20-5-3-18(4-6-20)10-19-9-12(21(23)24)7-11(8-17)15(19)22/h1-2,7,9H,3-6,10H2/p+1