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

Systemtic Name: methyl 1-[(3R)-1-(4-iodophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[(3R)-1-(4-iodophenyl)-2,5-dioxo-pyrrolidin-3-yl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(3R)-1-(4-iodophenyl)-2,5-dioxo-3-pyrrolidinyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[(3R)-1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(3R)-1-(4-iodophenyl)-2,5-diketo-pyrrolidin-3-yl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C17H20IN2O4+ MolecularWeight: 443.25617

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19IN2O4/c1-24-17(23)11-6-8-19(9-7-11)14-10-15(21)20(16(14)22)13-4-2-12(18)3-5-13/h2-5,11,14H,6-10H2,1H3/p+1/t14-/m1/s1