4-[(S)-benzotriazol-1-yl(phenyl)methyl]thiomorpholin-4-ium

Systemtic Name: 4-[(S)-benzotriazol-1-yl(phenyl)methyl]thiomorpholin-4-ium Openeye Name: 4-[(S)-benzotriazol-1-yl(phenyl)methyl]thiomorpholin-4-ium CAS Name: 4-[(S)-1-benzotriazolyl(phenyl)methyl]thiomorpholin-4-ium IUPAC Name: 4-[(S)-benzotriazol-1-yl(phenyl)methyl]thiomorpholin-4-ium Traditional Name: 4-[(S)-benzotriazol-1-yl(phenyl)methyl]thiomorpholin-4-ium Formula: C17H19N4S+ MolecularWeight: 311.42456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSCC[NH+]1C(C2=CC=CC=C2)N3C4=CC=CC=C4N=N3

Isomeric SMILES

C1CSCC[NH+]1[C@H](C2=CC=CC=C2)N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C17H18N4S/c1-2-6-14(7-3-1)17(20-10-12-22-13-11-20)21-16-9-5-4-8-15(16)18-19-21/h1-9,17H,10-13H2/p+1/t17-/m0/s1