1-[1-[(5-bromanyl-2-methoxy-phenyl)methyl]piperidin-4-yl]-4-methyl-piperazin-4-ium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 1-[1-[(5-bromanyl-2-methoxy-phenyl)methyl]piperidin-4-yl]-4-methyl-piperazin-4-ium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 1-[1-[(5-bromo-2-methoxy-phenyl)methyl]-4-piperidyl]-4-methyl-piperazin-4-ium; 2-hydroxy-2-oxo-acetate CAS Name: 1-[1-[(5-bromo-2-methoxyphenyl)methyl]-4-piperidinyl]-4-methylpiperazin-4-ium; 2-hydroxy-2-oxoacetate IUPAC Name: 1-[1-[(5-bromo-2-methoxyphenyl)methyl]piperidin-4-yl]-4-methylpiperazin-4-ium; 2-hydroxy-2-oxoacetate Traditional Name: 1-[1-(5-bromo-2-methoxy-benzyl)-4-piperidyl]-4-methyl-piperazin-4-ium binoxalate Formula: C20H30BrN3O5 MolecularWeight: 472.3733

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28BrN3O.C2H2O4/c1-20-9-11-22(12-10-20)17-5-7-21(8-6-17)14-15-13-16(19)3-4-18(15)23-2;3-1(4)2(5)6/h3-4,13,17H,5-12,14H2,1-2H3;(H,3,4)(H,5,6)