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

Systemtic Name: methyl 1-[(3S)-2,5-bis(oxidanylidene)-1-phenethyl-pyrrolidin-3-yl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[(3S)-2,5-dioxo-1-phenethyl-pyrrolidin-3-yl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(3S)-2,5-dioxo-1-phenethyl-3-pyrrolidinyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[(3S)-2,5-dioxo-1-phenethylpyrrolidin-3-yl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(3S)-2,5-diketo-1-phenethyl-pyrrolidin-3-yl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C19H25N2O4+ MolecularWeight: 345.4128

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[NH+](CC1)C2CC(=O)N(C2=O)CCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1CC[NH+](CC1)[C@H]2CC(=O)N(C2=O)CCC3=CC=CC=C3

InChI

InChI=1S/C19H24N2O4/c1-25-19(24)15-8-10-20(11-9-15)16-13-17(22)21(18(16)23)12-7-14-5-3-2-4-6-14/h2-6,15-16H,7-13H2,1H3/p+1/t16-/m0/s1