1-[(5S)-1-cyclohexyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-yl]propylidene-phenethyl-azanium

Systemtic Name: 1-[(5S)-1-cyclohexyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-yl]propylidene-phenethyl-azanium Openeye Name: 1-[(5S)-1-cyclohexyl-2,4,6-trioxo-hexahydropyrimidin-5-yl]propylidene-phenethyl-ammonium CAS Name: 1-[(5S)-1-cyclohexyl-2,4,6-trioxo-1,3-diazinan-5-yl]propylidene-phenethylammonium IUPAC Name: 1-[(5S)-1-cyclohexyl-2,4,6-trioxo-1,3-diazinan-5-yl]propylidene-phenethylazanium Traditional Name: 1-[(5S)-1-cyclohexyl-2,4,6-triketo-hexahydropyrimidin-5-yl]propylidene-phenethyl-ammonium Formula: C21H28N3O3+ MolecularWeight: 370.46532

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=[NH+]CCC1=CC=CC=C1)C2C(=O)NC(=O)N(C2=O)C3CCCCC3

Isomeric SMILES

CCC(=[NH+]CCC1=CC=CC=C1)[C@H]2C(=O)NC(=O)N(C2=O)C3CCCCC3

InChI

InChI=1S/C21H27N3O3/c1-2-17(22-14-13-15-9-5-3-6-10-15)18-19(25)23-21(27)24(20(18)26)16-11-7-4-8-12-16/h3,5-6,9-10,16,18H,2,4,7-8,11-14H2,1H3,(H,23,25,27)/p+1/t18-/m0/s1