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

Systemtic Name: dimethyl-[3-[[2,4,6-tris(oxidanylidene)-1-(phenylmethyl)-1,3-diazinan-5-yl]methylideneamino]propyl]azanium Openeye Name: 3-[(1-benzyl-2,4,6-trioxo-hexahydropyrimidin-5-yl)methyleneamino]propyl-dimethyl-ammonium CAS Name: dimethyl-[3-[[2,4,6-trioxo-1-(phenylmethyl)-1,3-diazinan-5-yl]methylideneamino]propyl]ammonium IUPAC Name: 3-[(1-benzyl-2,4,6-trioxo-1,3-diazinan-5-yl)methylideneamino]propyl-dimethylazanium Traditional Name: 3-[(1-benzyl-2,4,6-triketo-hexahydropyrimidin-5-yl)methyleneamino]propyl-dimethyl-ammonium Formula: C17H23N4O3+ MolecularWeight: 331.38952

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN=CC1C(=O)NC(=O)N(C1=O)CC2=CC=CC=C2

Isomeric SMILES

C[NH+](C)CCCN=CC1C(=O)NC(=O)N(C1=O)CC2=CC=CC=C2

InChI

InChI=1S/C17H22N4O3/c1-20(2)10-6-9-18-11-14-15(22)19-17(24)21(16(14)23)12-13-7-4-3-5-8-13/h3-5,7-8,11,14H,6,9-10,12H2,1-2H3,(H,19,22,24)/p+1