2-(cyclohexylmethyl)-4,1,2-benzoxadiazin-2-ium-3-one

Systemtic Name: 2-(cyclohexylmethyl)-4,1,2-benzoxadiazin-2-ium-3-one Openeye Name: 2-(cyclohexylmethyl)-4,1,2-benzoxadiazin-2-ium-3-one CAS Name: 2-(cyclohexylmethyl)-4,1,2-benzoxadiazin-2-ium-3-one IUPAC Name: 2-(cyclohexylmethyl)-4,1,2-benzoxadiazin-2-ium-3-one Traditional Name: 2-(cyclohexylmethyl)-4,1,2-benzoxadiazin-2-ium-3-one Formula: C14H17N2O2+ MolecularWeight: 245.29698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C[N+]2=NC3=CC=CC=C3OC2=O

Isomeric SMILES

C1CCC(CC1)C[N+]2=NC3=CC=CC=C3OC2=O

InChI

InChI=1S/C14H17N2O2/c17-14-16(10-11-6-2-1-3-7-11)15-12-8-4-5-9-13(12)18-14/h4-5,8-9,11H,1-3,6-7,10H2/q+1