4-(3-chloranyl-5-methyl-isoquinolin-1-yl)-4-oxidanidyl-thiomorpholin-4-ium

Systemtic Name: 4-(3-chloranyl-5-methyl-isoquinolin-1-yl)-4-oxidanidyl-thiomorpholin-4-ium Openeye Name: 4-(3-chloro-5-methyl-1-isoquinolyl)-4-oxido-thiomorpholin-4-ium CAS Name: 4-(3-chloro-5-methyl-1-isoquinolinyl)-4-oxidothiomorpholin-4-ium IUPAC Name: 4-(3-chloro-5-methylisoquinolin-1-yl)-4-oxidothiomorpholin-4-ium Traditional Name: 4-(3-chloro-5-methyl-1-isoquinolyl)-4-oxido-thiomorpholin-4-ium Formula: C14H15ClN2OS MolecularWeight: 294.7997

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C(N=C(C=C12)Cl)[N+]3(CCSCC3)[O-]

Isomeric SMILES

CC1=CC=CC2=C(N=C(C=C12)Cl)[N+]3(CCSCC3)[O-]

InChI

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