4-[1-[5-octyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-yl]piperazin-1-ium-1-yl]benzamide

Systemtic Name: 4-[1-[5-octyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-yl]piperazin-1-ium-1-yl]benzamide Openeye Name: 4-[1-(5-octyl-2,4,6-trioxo-hexahydropyrimidin-5-yl)piperazin-1-ium-1-yl]benzamide CAS Name: 4-[1-(5-octyl-2,4,6-trioxo-1,3-diazinan-5-yl)-1-piperazin-1-iumyl]benzamide IUPAC Name: 4-[1-(5-octyl-2,4,6-trioxo-1,3-diazinan-5-yl)piperazin-1-ium-1-yl]benzamide Traditional Name: 4-[1-(2,4,6-triketo-5-octyl-hexahydropyrimidin-5-yl)piperazin-1-ium-1-yl]benzamide Formula: C23H34N5O4+ MolecularWeight: 444.54716

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1(C(=O)NC(=O)NC1=O)[N+]2(CCNCC2)C3=CC=C(C=C3)C(=O)N

Isomeric SMILES

CCCCCCCCC1(C(=O)NC(=O)NC1=O)[N+]2(CCNCC2)C3=CC=C(C=C3)C(=O)N

InChI

InChI=1S/C23H33N5O4/c1-2-3-4-5-6-7-12-23(20(30)26-22(32)27-21(23)31)28(15-13-25-14-16-28)18-10-8-17(9-11-18)19(24)29/h8-11,25H,2-7,12-16H2,1H3,(H3-,24,26,27,29,30,31,32)/p+1