2-(4-prop-2-ynylpiperazin-4-ium-1-yl)sulfonylbenzenecarbonitrile

Systemtic Name: 2-(4-prop-2-ynylpiperazin-4-ium-1-yl)sulfonylbenzenecarbonitrile Openeye Name: 2-(4-prop-2-ynylpiperazin-4-ium-1-yl)sulfonylbenzonitrile CAS Name: 2-[(4-prop-2-ynyl-1-piperazin-4-iumyl)sulfonyl]benzonitrile IUPAC Name: 2-(4-prop-2-ynylpiperazin-4-ium-1-yl)sulfonylbenzonitrile Traditional Name: 2-(4-propargylpiperazin-4-ium-1-yl)sulfonylbenzonitrile Formula: C14H16N3O2S+ MolecularWeight: 290.36074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N3O2S/c1-2-7-16-8-10-17(11-9-16)20(18,19)14-6-4-3-5-13(14)12-15/h1,3-6H,7-11H2/p+1