(3S,4R)-3-(3,4-dichlorophenyl)-8-methyl-4-(methylsulfanylmethyl)-8-azabicyclo[3.2.1]octane

Systemtic Name: (3S,4R)-3-(3,4-dichlorophenyl)-8-methyl-4-(methylsulfanylmethyl)-8-azabicyclo[3.2.1]octane Openeye Name: (3S,4R)-3-(3,4-dichlorophenyl)-8-methyl-4-(methylsulfanylmethyl)-8-azabicyclo[3.2.1]octane CAS Name: (3S,4R)-3-(3,4-dichlorophenyl)-8-methyl-4-[(methylthio)methyl]-8-azabicyclo[3.2.1]octane IUPAC Name: (3S,4R)-3-(3,4-dichlorophenyl)-8-methyl-4-(methylsulfanylmethyl)-8-azabicyclo[3.2.1]octane Traditional Name: (3S,4R)-3-(3,4-dichlorophenyl)-8-methyl-4-[(methylthio)methyl]-8-azabicyclo[3.2.1]octane Formula: C16H21Cl2NS MolecularWeight: 330.31564

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2CCC1C(C(C2)C3=CC(=C(C=C3)Cl)Cl)CSC

Isomeric SMILES

CN1C2CCC1[C@@H]([C@H](C2)C3=CC(=C(C=C3)Cl)Cl)CSC

InChI

InChI=1S/C16H21Cl2NS/c1-19-11-4-6-16(19)13(9-20-2)12(8-11)10-3-5-14(17)15(18)7-10/h3,5,7,11-13,16H,4,6,8-9H2,1-2H3/t11?,12-,13-,16?/m1/s1