(7S)-8-oxidanylidene-3-propan-2-yl-10-sulfanyl-9-aza-3-azoniaspiro[5.5]undec-10-ene-7,11-dicarbonitrile

Systemtic Name: (7S)-8-oxidanylidene-3-propan-2-yl-10-sulfanyl-9-aza-3-azoniaspiro[5.5]undec-10-ene-7,11-dicarbonitrile Openeye Name: (7S)-3-isopropyl-8-oxo-10-sulfanyl-9-aza-3-azoniaspiro[5.5]undec-10-ene-7,11-dicarbonitrile CAS Name: (7S)-10-mercapto-8-oxo-3-propan-2-yl-9-aza-3-azoniaspiro[5.5]undec-10-ene-7,11-dicarbonitrile IUPAC Name: (7S)-8-oxo-3-propan-2-yl-10-sulfanyl-9-aza-3-azoniaspiro[5.5]undec-10-ene-7,11-dicarbonitrile Traditional Name: (7S)-3-isopropyl-8-keto-10-mercapto-9-aza-3-azoniaspiro[5.5]undec-10-ene-7,11-dicarbonitrile Formula: C14H19N4OS+ MolecularWeight: 291.39186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC2(CC1)C(C(=O)NC(=C2C#N)S)C#N

Isomeric SMILES

CC(C)[NH+]1CCC2(CC1)[C@H](C(=O)NC(=C2C#N)S)C#N

InChI

InChI=1S/C14H18N4OS/c1-9(2)18-5-3-14(4-6-18)10(7-15)12(19)17-13(20)11(14)8-16/h9-10,20H,3-6H2,1-2H3,(H,17,19)/p+1/t10-/m0/s1