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

Systemtic Name: 2-[4-[[2,4,5-tris(oxidanylidene)-3-propyl-imidazolidin-1-yl]methyl]piperazin-4-ium-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[(2,4,5-trioxo-3-propyl-imidazolidin-1-yl)methyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(2,4,5-trioxo-3-propyl-1-imidazolidinyl)methyl]-1-piperazin-4-iumyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[(2,4,5-trioxo-3-propylimidazolidin-1-yl)methyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[(2,4,5-triketo-3-propyl-imidazolidin-1-yl)methyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile Formula: C18H22N5O5S+ MolecularWeight: 420.46278

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C(=O)N(C1=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

CCCN1C(=O)C(=O)N(C1=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C18H21N5O5S/c1-2-7-22-16(24)17(25)23(18(22)26)13-20-8-10-21(11-9-20)29(27,28)15-6-4-3-5-14(15)12-19/h3-6H,2,7-11,13H2,1H3/p+1