methyl (2S,3S,5R)-2-phenyl-5-pyrrolidin-1-ylcarbonyl-pyrrolidin-1-ium-3-carboxylate

Systemtic Name: methyl (2S,3S,5R)-2-phenyl-5-pyrrolidin-1-ylcarbonyl-pyrrolidin-1-ium-3-carboxylate Openeye Name: methyl (2S,3S,5R)-2-phenyl-5-(pyrrolidine-1-carbonyl)pyrrolidin-1-ium-3-carboxylate CAS Name: (2S,3S,5R)-5-[oxo(1-pyrrolidinyl)methyl]-2-phenyl-3-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,3S,5R)-2-phenyl-5-(pyrrolidine-1-carbonyl)pyrrolidin-1-ium-3-carboxylate Traditional Name: (2S,3S,5R)-2-phenyl-5-(pyrrolidine-1-carbonyl)pyrrolidin-1-ium-3-carboxylic acid methyl ester Formula: C17H23N2O3+ MolecularWeight: 303.37612

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC([NH2+]C1C2=CC=CC=C2)C(=O)N3CCCC3

Isomeric SMILES

COC(=O)[C@H]1C[C@@H]([NH2+][C@@H]1C2=CC=CC=C2)C(=O)N3CCCC3

InChI

InChI=1S/C17H22N2O3/c1-22-17(21)13-11-14(16(20)19-9-5-6-10-19)18-15(13)12-7-3-2-4-8-12/h2-4,7-8,13-15,18H,5-6,9-11H2,1H3/p+1/t13-,14+,15+/m0/s1