1-[2-[[4-bromanyl-2-(2-bromophenyl)carbonyl-phenyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[[4-bromanyl-2-(2-bromophenyl)carbonyl-phenyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-[4-bromo-2-(2-bromobenzoyl)anilino]-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-[4-bromo-2-[(2-bromophenyl)-oxomethyl]anilino]-2-oxoethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-[4-bromo-2-(2-bromobenzoyl)anilino]-2-oxoethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-[4-bromo-2-(2-bromobenzoyl)anilino]-2-keto-ethyl]piperidin-1-ium-4-carboxamide Formula: C21H22Br2N3O3+ MolecularWeight: 524.22568

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)N)CC(=O)NC2=C(C=C(C=C2)Br)C(=O)C3=CC=CC=C3Br

Isomeric SMILES

C1C[NH+](CCC1C(=O)N)CC(=O)NC2=C(C=C(C=C2)Br)C(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C21H21Br2N3O3/c22-14-5-6-18(16(11-14)20(28)15-3-1-2-4-17(15)23)25-19(27)12-26-9-7-13(8-10-26)21(24)29/h1-6,11,13H,7-10,12H2,(H2,24,29)(H,25,27)/p+1