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

Systemtic Name: 4-[1-[5-octyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-yl]piperazin-1-ium-1-yl]benzenecarboximidamide Openeye Name: 4-[1-(5-octyl-2,4,6-trioxo-hexahydropyrimidin-5-yl)piperazin-1-ium-1-yl]benzamidine CAS Name: 4-[1-(5-octyl-2,4,6-trioxo-1,3-diazinan-5-yl)-1-piperazin-1-iumyl]benzenecarboximidamide IUPAC Name: 4-[1-(5-octyl-2,4,6-trioxo-1,3-diazinan-5-yl)piperazin-1-ium-1-yl]benzenecarboximidamide Traditional Name: 4-[1-(2,4,6-triketo-5-octyl-hexahydropyrimidin-5-yl)piperazin-1-ium-1-yl]benzamidine Formula: C23H35N6O3+ MolecularWeight: 443.5624

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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(=N)N

Isomeric SMILES

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

InChI

InChI=1S/C23H34N6O3/c1-2-3-4-5-6-7-12-23(20(30)27-22(32)28-21(23)31)29(15-13-26-14-16-29)18-10-8-17(9-11-18)19(24)25/h8-11,26H,2-7,12-16H2,1H3,(H4-,24,25,27,28,30,31,32)/p+1