1-(2,5-dioctoxyphenyl)-1-phenyl-1,3-diazinan-1-ium-2,4,6-trione

Systemtic Name: 1-(2,5-dioctoxyphenyl)-1-phenyl-1,3-diazinan-1-ium-2,4,6-trione Openeye Name: 1-(2,5-dioctoxyphenyl)-1-phenyl-hexahydropyrimidin-1-ium-2,4,6-trione CAS Name: 1-(2,5-dioctoxyphenyl)-1-phenyl-1,3-diazinan-1-ium-2,4,6-trione IUPAC Name: 1-(2,5-dioctoxyphenyl)-1-phenyl-1,3-diazinan-1-ium-2,4,6-trione Traditional Name: 1-(2,5-dioctoxyphenyl)-1-phenyl-hexahydropyrimidin-1-ium-2,4,6-trione Formula: C32H45N2O5+ MolecularWeight: 537.7101

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC(=C(C=C1)OCCCCCCCC)[N+]2(C(=O)CC(=O)NC2=O)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCOC1=CC(=C(C=C1)OCCCCCCCC)[N+]2(C(=O)CC(=O)NC2=O)C3=CC=CC=C3

InChI

InChI=1S/C32H44N2O5/c1-3-5-7-9-11-16-22-38-27-20-21-29(39-23-17-12-10-8-6-4-2)28(24-27)34(26-18-14-13-15-19-26)31(36)25-30(35)33-32(34)37/h13-15,18-21,24H,3-12,16-17,22-23,25H2,1-2H3/p+1