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

Systemtic Name: (3S,4R)-2,2-dimethyl-3-oxidanyl-4-pyrrolidin-1-yl-3,4-dihydrochromene-6-carboxamide; methanesulfonic acid Openeye Name: (3S,4R)-3-hydroxy-2,2-dimethyl-4-pyrrolidin-1-yl-chromane-6-carboxamide; methanesulfonic acid CAS Name: (3S,4R)-3-hydroxy-2,2-dimethyl-4-(1-pyrrolidinyl)-3,4-dihydro-2H-1-benzopyran-6-carboxamide; methanesulfonic acid IUPAC Name: (3S,4R)-3-hydroxy-2,2-dimethyl-4-pyrrolidin-1-yl-3,4-dihydrochromene-6-carboxamide; methanesulfonic acid Traditional Name: (3S,4R)-3-hydroxy-2,2-dimethyl-4-pyrrolidino-chroman-6-carboxamide; mesylic acid Formula: C17H26N2O6S MolecularWeight: 386.46314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O3.CH4O3S/c1-16(2)14(19)13(18-7-3-4-8-18)11-9-10(15(17)20)5-6-12(11)21-16;1-5(2,3)4/h5-6,9,13-14,19H,3-4,7-8H2,1-2H3,(H2,17,20);1H3,(H,2,3,4)/t13-,14+;/m1./s1