2-[4-[[3-methyl-2,5-bis(oxidanylidene)imidazolidin-1-yl]methyl]piperazin-4-ium-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[[3-methyl-2,5-bis(oxidanylidene)imidazolidin-1-yl]methyl]piperazin-4-ium-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[(3-methyl-2,5-dioxo-imidazolidin-1-yl)methyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(3-methyl-2,5-dioxo-1-imidazolidinyl)methyl]-1-piperazin-4-iumyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[(2,5-diketo-3-methyl-imidazolidin-1-yl)methyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile Formula: C16H20N5O4S+ MolecularWeight: 378.4261

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(=O)N(C1=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

CN1CC(=O)N(C1=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C16H19N5O4S/c1-18-11-15(22)21(16(18)23)12-19-6-8-20(9-7-19)26(24,25)14-5-3-2-4-13(14)10-17/h2-5H,6-9,11-12H2,1H3/p+1