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

Systemtic Name: methyl 4-[(3S)-2,5-bis(oxidanylidene)-3-piperidin-1-ium-1-yl-pyrrolidin-1-yl]benzoate Openeye Name: methyl 4-[(3S)-2,5-dioxo-3-piperidin-1-ium-1-yl-pyrrolidin-1-yl]benzoate CAS Name: 4-[(3S)-2,5-dioxo-3-(1-piperidin-1-iumyl)-1-pyrrolidinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(3S)-2,5-dioxo-3-piperidin-1-ium-1-ylpyrrolidin-1-yl]benzoate Traditional Name: 4-[(3S)-2,5-diketo-3-piperidin-1-ium-1-yl-pyrrolidino]benzoic acid methyl ester Formula: C17H21N2O4+ MolecularWeight: 317.35964

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)[NH+]3CCCCC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)N2C(=O)C[C@@H](C2=O)[NH+]3CCCCC3

InChI

InChI=1S/C17H20N2O4/c1-23-17(22)12-5-7-13(8-6-12)19-15(20)11-14(16(19)21)18-9-3-2-4-10-18/h5-8,14H,2-4,9-11H2,1H3/p+1/t14-/m0/s1