4-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-1-phenyl-1,2,4-triazol-4-ium

Systemtic Name: 4-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-1-phenyl-1,2,4-triazol-4-ium Openeye Name: 4-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-1-phenyl-1,2,4-triazol-4-ium CAS Name: 4-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-1-phenyl-1,2,4-triazol-4-ium IUPAC Name: 4-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-1-phenyl-1,2,4-triazol-4-ium Traditional Name: 4-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-1-phenyl-1,2,4-triazol-4-ium Formula: C20H22N3O2+ MolecularWeight: 336.40758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(C(O1)C2=CC=CC=C2)[N+]3=CN(N=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1(OC[C@@H]([C@@H](O1)C2=CC=CC=C2)[N+]3=CN(N=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C20H22N3O2/c1-20(2)24-13-18(19(25-20)16-9-5-3-6-10-16)22-14-21-23(15-22)17-11-7-4-8-12-17/h3-12,14-15,18-19H,13H2,1-2H3/q+1/t18-,19-/m0/s1