4-(3-chloranylisoquinolin-1-yl)-4-oxidanidyl-thiomorpholin-4-ium

Systemtic Name: 4-(3-chloranylisoquinolin-1-yl)-4-oxidanidyl-thiomorpholin-4-ium Openeye Name: 4-(3-chloro-1-isoquinolyl)-4-oxido-thiomorpholin-4-ium CAS Name: 4-(3-chloro-1-isoquinolinyl)-4-oxidothiomorpholin-4-ium IUPAC Name: 4-(3-chloroisoquinolin-1-yl)-4-oxidothiomorpholin-4-ium Traditional Name: 4-(3-chloro-1-isoquinolyl)-4-oxido-thiomorpholin-4-ium Formula: C13H13ClN2OS MolecularWeight: 280.77312

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCC[N+]1(C2=NC(=CC3=CC=CC=C32)Cl)[O-]

Isomeric SMILES

C1CSCC[N+]1(C2=NC(=CC3=CC=CC=C32)Cl)[O-]

InChI

InChI=1S/C13H13ClN2OS/c14-12-9-10-3-1-2-4-11(10)13(15-12)16(17)5-7-18-8-6-16/h1-4,9H,5-8H2