dimethyl (2R,5R)-1-[(1S)-1-phenylethyl]pyrrolidin-1-ium-2,5-dicarboxylate

Systemtic Name: dimethyl (2R,5R)-1-[(1S)-1-phenylethyl]pyrrolidin-1-ium-2,5-dicarboxylate Openeye Name: dimethyl (2R,5R)-1-[(1S)-1-phenylethyl]pyrrolidin-1-ium-2,5-dicarboxylate CAS Name: (2R,5R)-1-[(1S)-1-phenylethyl]pyrrolidin-1-ium-2,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (2R,5R)-1-[(1S)-1-phenylethyl]pyrrolidin-1-ium-2,5-dicarboxylate Traditional Name: (2R,5R)-1-[(1S)-1-phenylethyl]pyrrolidin-1-ium-2,5-dicarboxylic acid dimethyl ester Formula: C16H22NO4+ MolecularWeight: 292.35018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)[NH+]2C(CCC2C(=O)OC)C(=O)OC

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)[NH+]2[C@H](CC[C@@H]2C(=O)OC)C(=O)OC

InChI

InChI=1S/C16H21NO4/c1-11(12-7-5-4-6-8-12)17-13(15(18)20-2)9-10-14(17)16(19)21-3/h4-8,11,13-14H,9-10H2,1-3H3/p+1/t11-,13+,14+/m0/s1