2-(6-nitramido-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-3-yl)ethyl cyclohexanecarboxylate

Systemtic Name: 2-(6-nitramido-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-3-yl)ethyl cyclohexanecarboxylate Openeye Name: 2-(6-nitramido-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-3-yl)ethyl cyclohexanecarboxylate CAS Name: cyclohexanecarboxylic acid 2-(6-nitramido-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-3-yl)ethyl ester IUPAC Name: 2-(6-nitramido-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-3-yl)ethyl cyclohexanecarboxylate Traditional Name: cyclohexanecarboxylic acid 2-(6-nitramido-1,2,3,4-tetrahydro-s-triazin-3-ium-3-yl)ethyl ester Formula: C12H22N5O4+ MolecularWeight: 300.33418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)OCC[NH+]2CNC(=NC2)N[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)C(=O)OCC[NH+]2CNC(=NC2)N[N+](=O)[O-]

InChI

InChI=1S/C12H21N5O4/c18-11(10-4-2-1-3-5-10)21-7-6-16-8-13-12(14-9-16)15-17(19)20/h10H,1-9H2,(H2,13,14,15)/p+1