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buclizine(2+)

Go to external page http://purl.obolibrary.org/obo/CHEBI_61192

An ammonium ion that results from the protonation of both of the nitrogens of buclizine.

Term info

Label

buclizine(2+)

Synonyms
  • 1-(4-tert-butylbenzyl)-4-[(4-chlorophenyl)(phenyl)methyl]piperazinediium
Subsets

3_STAR

IUPAC NAME
1-(4-tert-butylbenzyl)-4-[(4-chlorophenyl)(phenyl)methyl]piperazinediium [ IUPAC ]

charge

+2

formula

C28H35ClN2

has obo namespace

chebi_ontology

id

CHEBI:61192

inchi

InChI=1S/C28H33ClN2/c1-28(2,3)25-13-9-22(10-14-25)21-30-17-19-31(20-18-30)27(23-7-5-4-6-8-23)24-11-15-26(29)16-12-24/h4-16,27H,17-21H2,1-3H3/p+2

inchikey

MOYGZHXDRJNJEP-UHFFFAOYSA-P

mass

435.04400

monoisotopicmass

434.24778

smiles

CC(C)(C)c1ccc(C[NH+]2CC[NH+](CC2)C(c2ccccc2)c2ccc(Cl)cc2)cc1