3-[[1-(4-methoxyphenyl)-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-yl]methylideneamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[1-(4-methoxyphenyl)-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-yl]methylideneamino]propyl-dimethyl-azanium Openeye Name: 3-[[1-(4-methoxyphenyl)-2,4,6-trioxo-hexahydropyrimidin-5-yl]methyleneamino]propyl-dimethyl-ammonium CAS Name: 3-[[1-(4-methoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-yl]methylideneamino]propyl-dimethylammonium IUPAC Name: 3-[[1-(4-methoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-yl]methylideneamino]propyl-dimethylazanium Traditional Name: dimethyl-[3-[[2,4,6-triketo-1-(4-methoxyphenyl)hexahydropyrimidin-5-yl]methyleneamino]propyl]ammonium Formula: C17H23N4O4+ MolecularWeight: 347.38892

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN=CC1C(=O)NC(=O)N(C1=O)C2=CC=C(C=C2)OC

Isomeric SMILES

C[NH+](C)CCCN=CC1C(=O)NC(=O)N(C1=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C17H22N4O4/c1-20(2)10-4-9-18-11-14-15(22)19-17(24)21(16(14)23)12-5-7-13(25-3)8-6-12/h5-8,11,14H,4,9-10H2,1-3H3,(H,19,22,24)/p+1