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

Systemtic Name: (3S,4R)-2,2-dimethyl-3-oxidanyl-4-pyrrolidin-1-ium-1-yl-3,4-dihydrochromene-6-carbonitrile Openeye Name: (3S,4R)-3-hydroxy-2,2-dimethyl-4-pyrrolidin-1-ium-1-yl-chromane-6-carbonitrile CAS Name: (3S,4R)-3-hydroxy-2,2-dimethyl-4-(1-pyrrolidin-1-iumyl)-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: (3S,4R)-3-hydroxy-2,2-dimethyl-4-pyrrolidin-1-ium-1-yl-3,4-dihydrochromene-6-carbonitrile Traditional Name: (3S,4R)-3-hydroxy-2,2-dimethyl-4-pyrrolidin-1-ium-1-yl-chroman-6-carbonitrile Formula: C16H21N2O2+ MolecularWeight: 273.35014

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)[NH+]3CCCC3)O)C

Isomeric SMILES

CC1([C@H]([C@@H](C2=C(O1)C=CC(=C2)C#N)[NH+]3CCCC3)O)C

InChI

InChI=1S/C16H20N2O2/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/p+1/t14-,15+/m1/s1