4-[(S)-(1-tert-butyl-1,2,3,4-tetrazol-5-yl)-quinolin-6-yl-methyl]thiomorpholin-4-ium

Systemtic Name: 4-[(S)-(1-tert-butyl-1,2,3,4-tetrazol-5-yl)-quinolin-6-yl-methyl]thiomorpholin-4-ium Openeye Name: 4-[(S)-(1-tert-butyltetrazol-5-yl)-(6-quinolyl)methyl]thiomorpholin-4-ium CAS Name: 4-[(S)-(1-tert-butyl-5-tetrazolyl)-(6-quinolinyl)methyl]thiomorpholin-4-ium IUPAC Name: 4-[(S)-(1-tert-butyltetrazol-5-yl)-quinolin-6-ylmethyl]thiomorpholin-4-ium Traditional Name: 4-[(S)-(1-tert-butyltetrazol-5-yl)-(6-quinolyl)methyl]thiomorpholin-4-ium Formula: C19H25N6S+ MolecularWeight: 369.507

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=NN=N1)C(C2=CC3=C(C=C2)N=CC=C3)[NH+]4CCSCC4

Isomeric SMILES

CC(C)(C)N1C(=NN=N1)[C@H](C2=CC3=C(C=C2)N=CC=C3)[NH+]4CCSCC4

InChI

InChI=1S/C19H24N6S/c1-19(2,3)25-18(21-22-23-25)17(24-9-11-26-12-10-24)15-6-7-16-14(13-15)5-4-8-20-16/h4-8,13,17H,9-12H2,1-3H3/p+1/t17-/m0/s1