[4-(2-bromophenyl)-1-(2-oxidanylpropanoyloxy)-3-phenyl-butyl]-methyl-azanium

Systemtic Name: [4-(2-bromophenyl)-1-(2-oxidanylpropanoyloxy)-3-phenyl-butyl]-methyl-azanium Openeye Name: [4-(2-bromophenyl)-1-(2-hydroxypropanoyloxy)-3-phenyl-butyl]-methyl-ammonium CAS Name: [4-(2-bromophenyl)-1-(2-hydroxy-1-oxopropoxy)-3-phenylbutyl]-methylammonium IUPAC Name: [4-(2-bromophenyl)-1-(2-hydroxypropanoyloxy)-3-phenylbutyl]-methylazanium Traditional Name: [4-(2-bromophenyl)-1-lactoyloxy-3-phenyl-butyl]-methyl-ammonium Formula: C20H25BrNO3+ MolecularWeight: 407.3214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC(CC(CC1=CC=CC=C1Br)C2=CC=CC=C2)[NH2+]C)O

Isomeric SMILES

CC(C(=O)OC(CC(CC1=CC=CC=C1Br)C2=CC=CC=C2)[NH2+]C)O

InChI

InChI=1S/C20H24BrNO3/c1-14(23)20(24)25-19(22-2)13-17(15-8-4-3-5-9-15)12-16-10-6-7-11-18(16)21/h3-11,14,17,19,22-23H,12-13H2,1-2H3/p+1