[2,4,6-tris(oxidanylidene)-1,3-diphenethyl-1,3-diazinan-5-yl]methylideneazanium

Systemtic Name: [2,4,6-tris(oxidanylidene)-1,3-diphenethyl-1,3-diazinan-5-yl]methylideneazanium Openeye Name: (2,4,6-trioxo-1,3-diphenethyl-hexahydropyrimidin-5-yl)methyleneammonium CAS Name: (2,4,6-trioxo-1,3-diphenethyl-1,3-diazinan-5-yl)methylideneammonium IUPAC Name: (2,4,6-trioxo-1,3-diphenethyl-1,3-diazinan-5-yl)methylideneazanium Traditional Name: (2,4,6-triketo-1,3-diphenethyl-hexahydropyrimidin-5-yl)methyleneammonium Formula: C21H22N3O3+ MolecularWeight: 364.41768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)C(C(=O)N(C2=O)CCC3=CC=CC=C3)C=[NH2+]

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)C(C(=O)N(C2=O)CCC3=CC=CC=C3)C=[NH2+]

InChI

InChI=1S/C21H21N3O3/c22-15-18-19(25)23(13-11-16-7-3-1-4-8-16)21(27)24(20(18)26)14-12-17-9-5-2-6-10-17/h1-10,15,18,22H,11-14H2/p+1