4-cyano-1-thiophen-2-yl-5,6,7,8-tetrahydroisoquinoline-3-thiolate; morpholin-4-ium

Systemtic Name: 4-cyano-1-thiophen-2-yl-5,6,7,8-tetrahydroisoquinoline-3-thiolate; morpholin-4-ium Openeye Name: 4-cyano-1-(2-thienyl)-5,6,7,8-tetrahydroisoquinoline-3-thiolate; morpholin-4-ium CAS Name: 4-cyano-1-thiophen-2-yl-5,6,7,8-tetrahydroisoquinoline-3-thiolate; morpholin-4-ium IUPAC Name: 4-cyano-1-thiophen-2-yl-5,6,7,8-tetrahydroisoquinoline-3-thiolate; morpholin-4-ium Traditional Name: 4-cyano-1-(2-thienyl)-5,6,7,8-tetrahydroisoquinoline-3-thiolate; morpholin-4-ium Formula: C18H21N3OS2 MolecularWeight: 359.50884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(N=C(C(=C2C1)C#N)[S-])C3=CC=CS3.C1COCC[NH2+]1

Isomeric SMILES

C1CCC2=C(N=C(C(=C2C1)C#N)[S-])C3=CC=CS3.C1COCC[NH2+]1

InChI

InChI=1S/C14H12N2S2.C4H9NO/c15-8-11-9-4-1-2-5-10(9)13(16-14(11)17)12-6-3-7-18-12;1-3-6-4-2-5-1/h3,6-7H,1-2,4-5H2,(H,16,17);5H,1-4H2