3H-1,3-benzoxazol-2-ylidene-[3-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]methyl]-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-6-yl]azanium

Systemtic Name: 3H-1,3-benzoxazol-2-ylidene-[3-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]methyl]-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-6-yl]azanium Openeye Name: 3H-1,3-benzoxazol-2-ylidene-[3-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]methyl]-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-6-yl]ammonium CAS Name: 3H-1,3-benzoxazol-2-ylidene-[3-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]methyl]-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-6-yl]ammonium IUPAC Name: 3H-1,3-benzoxazol-2-ylidene-[3-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]methyl]-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-6-yl]azanium Traditional Name: 3H-1,3-benzoxazol-2-ylidene-[3-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]methyl]-1,2,3,4-tetrahydro-s-triazin-3-ium-6-yl]ammonium Formula: C19H29N5O+2 MolecularWeight: 343.46646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)C[NH+]2CNC(=NC2)[NH+]=C3NC4=CC=CC=C4O3

Isomeric SMILES

C[C@@H]1CCC[C@@H]([C@@H]1C)C[NH+]2CNC(=NC2)[NH+]=C3NC4=CC=CC=C4O3

InChI

InChI=1S/C19H27N5O/c1-13-6-5-7-15(14(13)2)10-24-11-20-18(21-12-24)23-19-22-16-8-3-4-9-17(16)25-19/h3-4,8-9,13-15H,5-7,10-12H2,1-2H3,(H2,20,21,22,23)/p+2/t13-,14-,15-/m1/s1