3-chloranyl-1-piperidin-4-ylsulfanyl-isoquinoline

Systemtic Name: 3-chloranyl-1-piperidin-4-ylsulfanyl-isoquinoline Openeye Name: 3-chloro-1-(4-piperidylsulfanyl)isoquinoline CAS Name: 3-chloro-1-(4-piperidinylthio)isoquinoline IUPAC Name: 3-chloro-1-piperidin-4-ylsulfanylisoquinoline Traditional Name: 3-chloro-1-(4-piperidylthio)isoquinoline Formula: C14H15ClN2S MolecularWeight: 278.8003

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1SC2=NC(=CC3=CC=CC=C32)Cl

Isomeric SMILES

C1CNCCC1SC2=NC(=CC3=CC=CC=C32)Cl

InChI

InChI=1S/C14H15ClN2S/c15-13-9-10-3-1-2-4-12(10)14(17-13)18-11-5-7-16-8-6-11/h1-4,9,11,16H,5-8H2