[2-[2-chloranyl-3,4-bis(3-methylbutanoyloxy)phenyl]-2-oxidanyl-ethyl]-dimethyl-[2-(2-phenoxyethanoylamino)ethyl]azanium hydrobromide

Systemtic Name: [2-[2-chloranyl-3,4-bis(3-methylbutanoyloxy)phenyl]-2-oxidanyl-ethyl]-dimethyl-[2-(2-phenoxyethanoylamino)ethyl]azanium hydrobromide Openeye Name: [2-[2-chloro-3,4-bis(3-methylbutanoyloxy)phenyl]-2-hydroxy-ethyl]-dimethyl-[2-[(2-phenoxyacetyl)amino]ethyl]ammonium hydrobromide CAS Name: [2-[2-chloro-3,4-bis(3-methyl-1-oxobutoxy)phenyl]-2-hydroxyethyl]-dimethyl-[2-[(1-oxo-2-phenoxyethyl)amino]ethyl]ammonium hydrobromide IUPAC Name: [2-[2-chloro-3,4-bis(3-methylbutanoyloxy)phenyl]-2-hydroxyethyl]-dimethyl-[2-[(2-phenoxyacetyl)amino]ethyl]azanium hydrobromide Traditional Name: [2-(2-chloro-3,4-diisovaleryloxy-phenyl)-2-hydroxy-ethyl]-dimethyl-[2-[(2-phenoxyacetyl)amino]ethyl]ammonium hydrobromide Formula: C30H43BrClN2O7+ MolecularWeight: 659.02862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)OC1=C(C(=C(C=C1)C(C[N+](C)(C)CCNC(=O)COC2=CC=CC=C2)O)Cl)OC(=O)CC(C)C.Br

Isomeric SMILES

CC(C)CC(=O)OC1=C(C(=C(C=C1)C(C[N+](C)(C)CCNC(=O)COC2=CC=CC=C2)O)Cl)OC(=O)CC(C)C.Br

InChI

InChI=1S/C30H41ClN2O7.BrH/c1-20(2)16-27(36)39-25-13-12-23(29(31)30(25)40-28(37)17-21(3)4)24(34)18-33(5,6)15-14-32-26(35)19-38-22-10-8-7-9-11-22;/h7-13,20-21,24,34H,14-19H2,1-6H3;1H/p+1