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

Systemtic Name: 1-[(3S)-2,5-bis(oxidanylidene)-1-phenethyl-pyrrolidin-3-yl]piperidin-1-ium-4-carboxylate Openeye Name: 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-iumcarboxylate IUPAC Name: 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-carboxylate Formula: C18H22N2O4 MolecularWeight: 330.37828

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)[O-])C2CC(=O)N(C2=O)CCC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC1C(=O)[O-])[C@H]2CC(=O)N(C2=O)CCC3=CC=CC=C3

InChI

InChI=1S/C18H22N2O4/c21-16-12-15(19-9-7-14(8-10-19)18(23)24)17(22)20(16)11-6-13-4-2-1-3-5-13/h1-5,14-15H,6-12H2,(H,23,24)/t15-/m0/s1