8-nitro-7-(phenylmethylsulfanyl)-1,2,3,4-tetrahydroisoquinoline hydrochloride

Systemtic Name: 8-nitro-7-(phenylmethylsulfanyl)-1,2,3,4-tetrahydroisoquinoline hydrochloride Openeye Name: 7-benzylsulfanyl-8-nitro-1,2,3,4-tetrahydroisoquinoline hydrochloride CAS Name: 8-nitro-7-(phenylmethylthio)-1,2,3,4-tetrahydroisoquinoline hydrochloride IUPAC Name: 7-benzylsulfanyl-8-nitro-1,2,3,4-tetrahydroisoquinoline hydrochloride Traditional Name: 7-(benzylthio)-8-nitro-1,2,3,4-tetrahydroisoquinoline hydrochloride Formula: C16H17ClN2O2S MolecularWeight: 336.83638

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC2=C1C=CC(=C2[N+](=O)[O-])SCC3=CC=CC=C3.Cl

Isomeric SMILES

C1CNCC2=C1C=CC(=C2[N+](=O)[O-])SCC3=CC=CC=C3.Cl

InChI

InChI=1S/C16H16N2O2S.ClH/c19-18(20)16-14-10-17-9-8-13(14)6-7-15(16)21-11-12-4-2-1-3-5-12;/h1-7,17H,8-11H2;1H