(3S)-2,2-dimethyl-3-oxidanyl-4-pyrrolidin-1-yl-3,4-dihydrochromene-6-carbonitrile; methanesulfonic acid

Systemtic Name: (3S)-2,2-dimethyl-3-oxidanyl-4-pyrrolidin-1-yl-3,4-dihydrochromene-6-carbonitrile; methanesulfonic acid Openeye Name: (3S)-3-hydroxy-2,2-dimethyl-4-pyrrolidin-1-yl-chromane-6-carbonitrile; methanesulfonic acid CAS Name: (3S)-3-hydroxy-2,2-dimethyl-4-(1-pyrrolidinyl)-3,4-dihydro-2H-1-benzopyran-6-carbonitrile; methanesulfonic acid IUPAC Name: (3S)-3-hydroxy-2,2-dimethyl-4-pyrrolidin-1-yl-3,4-dihydrochromene-6-carbonitrile; methanesulfonic acid Traditional Name: (3S)-3-hydroxy-2,2-dimethyl-4-pyrrolidino-chroman-6-carbonitrile; mesylic acid Formula: C17H24N2O5S MolecularWeight: 368.44786

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N3CCCC3)O)C.CS(=O)(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O2.CH4O3S/c1-16(2)15(19)14(18-7-3-4-8-18)12-9-11(10-17)5-6-13(12)20-16;1-5(2,3)4/h5-6,9,14-15,19H,3-4,7-8H2,1-2H3;1H3,(H,2,3,4)/t14?,15-;/m0./s1