1-[1-[(3-bromophenyl)methyl]piperidin-4-yl]-4-ethyl-piperazin-4-ium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 1-[1-[(3-bromophenyl)methyl]piperidin-4-yl]-4-ethyl-piperazin-4-ium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 1-[1-[(3-bromophenyl)methyl]-4-piperidyl]-4-ethyl-piperazin-4-ium; 2-hydroxy-2-oxo-acetate CAS Name: 1-[1-[(3-bromophenyl)methyl]-4-piperidinyl]-4-ethylpiperazin-4-ium; 2-hydroxy-2-oxoacetate IUPAC Name: 1-[1-[(3-bromophenyl)methyl]piperidin-4-yl]-4-ethylpiperazin-4-ium; 2-hydroxy-2-oxoacetate Traditional Name: 1-[1-(3-bromobenzyl)-4-piperidyl]-4-ethyl-piperazin-4-ium binoxalate Formula: C20H30BrN3O4 MolecularWeight: 456.3739

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2CCN(CC2)CC3=CC(=CC=C3)Br.C(=O)(C(=O)[O-])O

Isomeric SMILES

CC[NH+]1CCN(CC1)C2CCN(CC2)CC3=CC(=CC=C3)Br.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C18H28BrN3.C2H2O4/c1-2-20-10-12-22(13-11-20)18-6-8-21(9-7-18)15-16-4-3-5-17(19)14-16;3-1(4)2(5)6/h3-5,14,18H,2,6-13,15H2,1H3;(H,3,4)(H,5,6)