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

Systemtic Name: 4-(5-chloranyl-3-piperazin-1-yl-isoquinolin-1-yl)-4-oxidanidyl-thiomorpholin-4-ium Openeye Name: 4-(5-chloro-3-piperazin-1-yl-1-isoquinolyl)-4-oxido-thiomorpholin-4-ium CAS Name: 4-[5-chloro-3-(1-piperazinyl)-1-isoquinolinyl]-4-oxidothiomorpholin-4-ium IUPAC Name: 4-(5-chloro-3-piperazin-1-ylisoquinolin-1-yl)-4-oxidothiomorpholin-4-ium Traditional Name: 4-(5-chloro-3-piperazino-1-isoquinolyl)-4-oxido-thiomorpholin-4-ium Formula: C17H21ClN4OS MolecularWeight: 364.89284

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=NC(=C3C=CC=C(C3=C2)Cl)[N+]4(CCSCC4)[O-]

Isomeric SMILES

C1CN(CCN1)C2=NC(=C3C=CC=C(C3=C2)Cl)[N+]4(CCSCC4)[O-]

InChI

InChI=1S/C17H21ClN4OS/c18-15-3-1-2-13-14(15)12-16(21-6-4-19-5-7-21)20-17(13)22(23)8-10-24-11-9-22/h1-3,12,19H,4-11H2