2-[methyl-(2-oxidanyl-2,2-diphenyl-ethanoyl)amino]ethyl-pentan-3-yl-azanium bromide

Systemtic Name: 2-[methyl-(2-oxidanyl-2,2-diphenyl-ethanoyl)amino]ethyl-pentan-3-yl-azanium bromide Openeye Name: 1-ethylpropyl-[2-[(2-hydroxy-2,2-diphenyl-acetyl)-methyl-amino]ethyl]ammonium bromide CAS Name: 2-[(2-hydroxy-1-oxo-2,2-diphenylethyl)-methylamino]ethyl-pentan-3-ylammonium bromide IUPAC Name: 2-[(2-hydroxy-2,2-diphenylacetyl)-methylamino]ethyl-pentan-3-ylazanium bromide Traditional Name: 2-[benziloyl(methyl)amino]ethyl-(1-ethylpropyl)ammonium bromide Formula: C22H31BrN2O2 MolecularWeight: 435.39774

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)[NH2+]CCN(C)C(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O.[Br-]

Isomeric SMILES

CCC(CC)[NH2+]CCN(C)C(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O.[Br-]

InChI

InChI=1S/C22H30N2O2.BrH/c1-4-20(5-2)23-16-17-24(3)21(25)22(26,18-12-8-6-9-13-18)19-14-10-7-11-15-19;/h6-15,20,23,26H,4-5,16-17H2,1-3H3;1H