N-{2-[(2,6-Dimethylphenyl)amino]-2-oxoethyl}-N,N-dimethyl-3-phenyl-1-propanaminium bromide

ChemSpider ID: 17400
Molecular Formula: C₂₁H₂₉BrN₂O
Monoisotopic mass: 404.146332 Da
Systematic name

N-{2-[(2,6-Dimethylphenyl)amino]-2-oxoethyl}-N,N-dimethyl-3-phenyl-1-propanaminium bromide
SMILES and InChIs

SMILES:

[Br-].O=C(Nc1c(cccc1C)C)C[N+](CCCc2ccccc2)(C)C Copied

Std. InChI:

InChI=1S/C21H28N2O.BrH/c1-17-10-8-11-18(2)21(17)22-20(24)16-23(3,4)15-9-14-19-12-6-5-7-13-19;/h5-8,10-13H,9,14-16H2,1-4H3;1H Copied

Std. InChIKey:

XNFIRDYGKUQDLN-UHFFFAOYSA-N Copied

Names and Identifiers

Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.

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