methyl 1-[2-[[2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[2-[[2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[2-[[2-(2-bromoanilino)-2-oxo-ethyl]amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-[[2-(2-bromoanilino)-2-keto-ethyl]amino]-2-keto-ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C17H23BrN3O4+ MolecularWeight: 413.28622

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[NH+](CC1)CC(=O)NCC(=O)NC2=CC=CC=C2Br

Isomeric SMILES

COC(=O)C1CC[NH+](CC1)CC(=O)NCC(=O)NC2=CC=CC=C2Br

InChI

InChI=1S/C17H22BrN3O4/c1-25-17(24)12-6-8-21(9-7-12)11-16(23)19-10-15(22)20-14-5-3-2-4-13(14)18/h2-5,12H,6-11H2,1H3,(H,19,23)(H,20,22)/p+1