6-[10-isocyanato-1,3-bis(oxidanylidene)-2-aza-4-azoniaspiro[3.6]decan-2-yl]hexyl cyanate

Systemtic Name: 6-[10-isocyanato-1,3-bis(oxidanylidene)-2-aza-4-azoniaspiro[3.6]decan-2-yl]hexyl cyanate Openeye Name: 6-(10-isocyanato-1,3-dioxo-2-aza-4-azoniaspiro[3.6]decan-2-yl)hexyl cyanate CAS Name: cyanic acid 6-(10-isocyanato-1,3-dioxo-2-aza-4-azoniaspiro[3.6]decan-2-yl)hexyl ester IUPAC Name: 6-(10-isocyanato-1,3-dioxo-2-aza-4-azoniaspiro[3.6]decan-2-yl)hexyl cyanate Traditional Name: cyanic acid 6-(10-isocyanato-1,3-diketo-2-aza-4-azoniaspiro[3.6]decan-2-yl)hexyl ester Formula: C16H23N4O4+ MolecularWeight: 335.37822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC([N+]2(CC1)C(=O)N(C2=O)CCCCCCOC#N)N=C=O

Isomeric SMILES

C1CCC([N+]2(CC1)C(=O)N(C2=O)CCCCCCOC#N)N=C=O

InChI

InChI=1S/C16H23N4O4/c17-12-24-11-7-2-1-5-9-19-15(22)20(16(19)23)10-6-3-4-8-14(20)18-13-21/h14H,1-11H2/q+1