4-(7-chloranyl-3-piperazin-1-yl-isoquinolin-1-yl)-4-oxidanidyl-thiomorpholin-4-ium

Systemtic Name: 4-(7-chloranyl-3-piperazin-1-yl-isoquinolin-1-yl)-4-oxidanidyl-thiomorpholin-4-ium Openeye Name: 4-(7-chloro-3-piperazin-1-yl-1-isoquinolyl)-4-oxido-thiomorpholin-4-ium CAS Name: 4-[7-chloro-3-(1-piperazinyl)-1-isoquinolinyl]-4-oxidothiomorpholin-4-ium IUPAC Name: 4-(7-chloro-3-piperazin-1-ylisoquinolin-1-yl)-4-oxidothiomorpholin-4-ium Traditional Name: 4-(7-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=C(C=CC3=C2)Cl)[N+]4(CCSCC4)[O-]

Isomeric SMILES

C1CN(CCN1)C2=NC(=C3C=C(C=CC3=C2)Cl)[N+]4(CCSCC4)[O-]

InChI

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