1-[(3S)-1-(4-bromanyl-3-chloranyl-phenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(3S)-1-(4-bromanyl-3-chloranyl-phenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(3S)-1-(4-bromo-3-chloro-phenyl)-2,5-dioxo-pyrrolidin-3-yl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(3S)-1-(4-bromo-3-chlorophenyl)-2,5-dioxo-3-pyrrolidinyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(3S)-1-(4-bromo-3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(3S)-1-(4-bromo-3-chloro-phenyl)-2,5-diketo-pyrrolidin-3-yl]piperidin-1-ium-4-carboxamide Formula: C16H18BrClN3O3+ MolecularWeight: 415.68942

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)N)C2CC(=O)N(C2=O)C3=CC(=C(C=C3)Br)Cl

Isomeric SMILES

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

InChI

InChI=1S/C16H17BrClN3O3/c17-11-2-1-10(7-12(11)18)21-14(22)8-13(16(21)24)20-5-3-9(4-6-20)15(19)23/h1-2,7,9,13H,3-6,8H2,(H2,19,23)/p+1/t13-/m0/s1