methyl (2S,4S,5R)-1,2-dimethyl-4-(1,2-oxazinan-2-ylcarbonyl)-5-phenyl-pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S,4S,5R)-1,2-dimethyl-4-(1,2-oxazinan-2-ylcarbonyl)-5-phenyl-pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4S,5R)-1,2-dimethyl-4-(oxazinane-2-carbonyl)-5-phenyl-pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4S,5R)-1,2-dimethyl-4-[2-oxazinanyl(oxo)methyl]-5-phenyl-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4S,5R)-1,2-dimethyl-4-(oxazinane-2-carbonyl)-5-phenylpyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4S,5R)-1,2-dimethyl-4-(oxazinane-2-carbonyl)-5-phenyl-pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C19H27N2O4+ MolecularWeight: 347.42868

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C([NH+]1C)C2=CC=CC=C2)C(=O)N3CCCCO3)C(=O)OC

Isomeric SMILES

C[C@]1(C[C@@H]([C@@H]([NH+]1C)C2=CC=CC=C2)C(=O)N3CCCCO3)C(=O)OC

InChI

InChI=1S/C19H26N2O4/c1-19(18(23)24-3)13-15(17(22)21-11-7-8-12-25-21)16(20(19)2)14-9-5-4-6-10-14/h4-6,9-10,15-16H,7-8,11-13H2,1-3H3/p+1/t15-,16-,19-/m0/s1