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

Systemtic Name: methanesulfonic acid; methyl (3S,4R)-2,2-dimethyl-3-oxidanyl-4-pyrrolidin-1-yl-3,4-dihydrochromene-6-carboxylate Openeye Name: methanesulfonic acid; methyl (3S,4R)-3-hydroxy-2,2-dimethyl-4-pyrrolidin-1-yl-chromane-6-carboxylate CAS Name: (3S,4R)-3-hydroxy-2,2-dimethyl-4-(1-pyrrolidinyl)-3,4-dihydro-2H-1-benzopyran-6-carboxylic acid methyl ester; methanesulfonic acid IUPAC Name: methanesulfonic acid; methyl (3S,4R)-3-hydroxy-2,2-dimethyl-4-pyrrolidin-1-yl-3,4-dihydrochromene-6-carboxylate Traditional Name: (3S,4R)-3-hydroxy-2,2-dimethyl-4-pyrrolidino-chroman-6-carboxylic acid methyl ester; mesylic acid Formula: C18H27NO7S MolecularWeight: 401.47448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23NO4.CH4O3S/c1-17(2)15(19)14(18-8-4-5-9-18)12-10-11(16(20)21-3)6-7-13(12)22-17;1-5(2,3)4/h6-7,10,14-15,19H,4-5,8-9H2,1-3H3;1H3,(H,2,3,4)/t14-,15+;/m1./s1