1-[(3-bromophenyl)methyl]-4-(4-methylpiperidin-1-ium-1-yl)piperidine; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 1-[(3-bromophenyl)methyl]-4-(4-methylpiperidin-1-ium-1-yl)piperidine; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 1-[(3-bromophenyl)methyl]-4-(4-methylpiperidin-1-ium-1-yl)piperidine; 2-hydroxy-2-oxo-acetate CAS Name: 1-[(3-bromophenyl)methyl]-4-(4-methyl-1-piperidin-1-iumyl)piperidine; 2-hydroxy-2-oxoacetate IUPAC Name: 1-[(3-bromophenyl)methyl]-4-(4-methylpiperidin-1-ium-1-yl)piperidine; 2-hydroxy-2-oxoacetate Traditional Name: 1-(3-bromobenzyl)-4-(4-methylpiperidin-1-ium-1-yl)piperidine binoxalate Formula: C20H29BrN2O4 MolecularWeight: 441.35926

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C2CCN(CC2)CC3=CC(=CC=C3)Br.C(=O)(C(=O)[O-])O

Isomeric SMILES

CC1CC[NH+](CC1)C2CCN(CC2)CC3=CC(=CC=C3)Br.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C18H27BrN2.C2H2O4/c1-15-5-11-21(12-6-15)18-7-9-20(10-8-18)14-16-3-2-4-17(19)13-16;3-1(4)2(5)6/h2-4,13,15,18H,5-12,14H2,1H3;(H,3,4)(H,5,6)