4-(3-chloranyl-4-methyl-isoquinolin-1-yl)-4-oxidanidyl-thiomorpholin-4-ium

Systemtic Name: 4-(3-chloranyl-4-methyl-isoquinolin-1-yl)-4-oxidanidyl-thiomorpholin-4-ium Openeye Name: 4-(3-chloro-4-methyl-1-isoquinolyl)-4-oxido-thiomorpholin-4-ium CAS Name: 4-(3-chloro-4-methyl-1-isoquinolinyl)-4-oxidothiomorpholin-4-ium IUPAC Name: 4-(3-chloro-4-methylisoquinolin-1-yl)-4-oxidothiomorpholin-4-ium Traditional Name: 4-(3-chloro-4-methyl-1-isoquinolyl)-4-oxido-thiomorpholin-4-ium Formula: C14H15ClN2OS MolecularWeight: 294.7997

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C2=CC=CC=C12)[N+]3(CCSCC3)[O-])Cl

Isomeric SMILES

CC1=C(N=C(C2=CC=CC=C12)[N+]3(CCSCC3)[O-])Cl

InChI

InChI=1S/C14H15ClN2OS/c1-10-11-4-2-3-5-12(11)14(16-13(10)15)17(18)6-8-19-9-7-17/h2-5H,6-9H2,1H3