(3S,4R)-2,2-dimethyl-3-oxidanyl-4-pyrrolidin-1-yl-3,4-dihydrochromene-6-carbonitrile chloride

Systemtic Name: (3S,4R)-2,2-dimethyl-3-oxidanyl-4-pyrrolidin-1-yl-3,4-dihydrochromene-6-carbonitrile chloride Openeye Name: (3S,4R)-3-hydroxy-2,2-dimethyl-4-pyrrolidin-1-yl-chromane-6-carbonitrile chloride CAS Name: (3S,4R)-3-hydroxy-2,2-dimethyl-4-(1-pyrrolidinyl)-3,4-dihydro-2H-1-benzopyran-6-carbonitrile chloride IUPAC Name: (3S,4R)-3-hydroxy-2,2-dimethyl-4-pyrrolidin-1-yl-3,4-dihydrochromene-6-carbonitrile chloride Traditional Name: (3S,4R)-3-hydroxy-2,2-dimethyl-4-pyrrolidino-chroman-6-carbonitrile chloride Formula: C16H20ClN2O2- MolecularWeight: 307.7952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N3CCCC3)O)C.[Cl-]

Isomeric SMILES

CC1([C@H]([C@@H](C2=C(O1)C=CC(=C2)C#N)N3CCCC3)O)C.[Cl-]

InChI

InChI=1S/C16H20N2O2.ClH/c1-16(2)15(19)14(18-7-3-4-8-18)12-9-11(10-17)5-6-13(12)20-16;/h5-6,9,14-15,19H,3-4,7-8H2,1-2H3;1H/p-1/t14-,15+;/m1./s1