(2S,6S)-4-[[3-(3-bromophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-6-yl]methyl]-2,6-dimethyl-morpholin-4-ium

Systemtic Name: (2S,6S)-4-[[3-(3-bromophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-6-yl]methyl]-2,6-dimethyl-morpholin-4-ium Openeye Name: (2S,6S)-4-[[3-(3-bromophenyl)thiazolo[2,3-c][1,2,4]triazol-6-yl]methyl]-2,6-dimethyl-morpholin-4-ium CAS Name: (2S,6S)-4-[[3-(3-bromophenyl)-6-thiazolo[2,3-c][1,2,4]triazolyl]methyl]-2,6-dimethylmorpholin-4-ium IUPAC Name: (2S,6S)-4-[[3-(3-bromophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-6-yl]methyl]-2,6-dimethylmorpholin-4-ium Traditional Name: (2S,6S)-4-[[3-(3-bromophenyl)thiazolo[2,3-c][1,2,4]triazol-6-yl]methyl]-2,6-dimethyl-morpholin-4-ium Formula: C17H20BrN4OS+ MolecularWeight: 408.3359

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC(O1)C)CC2=CN3C(=NN=C3S2)C4=CC(=CC=C4)Br

Isomeric SMILES

C[C@H]1C[NH+](C[C@@H](O1)C)CC2=CN3C(=NN=C3S2)C4=CC(=CC=C4)Br

InChI

InChI=1S/C17H19BrN4OS/c1-11-7-21(8-12(2)23-11)9-15-10-22-16(19-20-17(22)24-15)13-4-3-5-14(18)6-13/h3-6,10-12H,7-9H2,1-2H3/p+1/t11-,12-/m0/s1