[1-[(2-bromophenyl)methyl]piperidin-1-ium-3-yl]-piperidin-1-yl-methanone; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: [1-[(2-bromophenyl)methyl]piperidin-1-ium-3-yl]-piperidin-1-yl-methanone; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: [1-[(2-bromophenyl)methyl]piperidin-1-ium-3-yl]-(1-piperidyl)methanone; 2-hydroxy-2-oxo-acetate CAS Name: [1-[(2-bromophenyl)methyl]-3-piperidin-1-iumyl]-(1-piperidinyl)methanone; 2-hydroxy-2-oxoacetate IUPAC Name: [1-[(2-bromophenyl)methyl]piperidin-1-ium-3-yl]-piperidin-1-ylmethanone; 2-hydroxy-2-oxoacetate Traditional Name: [1-(2-bromobenzyl)piperidin-1-ium-3-yl]-piperidino-methanone binoxalate Formula: C20H27BrN2O5 MolecularWeight: 455.34278

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2CCC[NH+](C2)CC3=CC=CC=C3Br.C(=O)(C(=O)[O-])O

Isomeric SMILES

C1CCN(CC1)C(=O)C2CCC[NH+](C2)CC3=CC=CC=C3Br.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C18H25BrN2O.C2H2O4/c19-17-9-3-2-7-15(17)13-20-10-6-8-16(14-20)18(22)21-11-4-1-5-12-21;3-1(4)2(5)6/h2-3,7,9,16H,1,4-6,8,10-14H2;(H,3,4)(H,5,6)