methyl 1-[(3S)-2,5-bis(oxidanylidene)-1-phenyl-pyrrolidin-3-yl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[(3S)-2,5-bis(oxidanylidene)-1-phenyl-pyrrolidin-3-yl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[(3S)-2,5-dioxo-1-phenyl-pyrrolidin-3-yl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(3S)-2,5-dioxo-1-phenyl-3-pyrrolidinyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(3S)-2,5-diketo-1-phenyl-pyrrolidin-3-yl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C17H21N2O4+ MolecularWeight: 317.35964

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[NH+](CC1)C2CC(=O)N(C2=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1CC[NH+](CC1)[C@H]2CC(=O)N(C2=O)C3=CC=CC=C3

InChI

InChI=1S/C17H20N2O4/c1-23-17(22)12-7-9-18(10-8-12)14-11-15(20)19(16(14)21)13-5-3-2-4-6-13/h2-6,12,14H,7-11H2,1H3/p+1/t14-/m0/s1