[(2S)-2-(4-bromophenyl)carbonyloxypropyl]-methyl-(phenylmethyl)azanium

Systemtic Name: [(2S)-2-(4-bromophenyl)carbonyloxypropyl]-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[(2S)-2-(4-bromobenzoyl)oxypropyl]-methyl-ammonium CAS Name: [(2S)-2-[(4-bromophenyl)-oxomethoxy]propyl]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(2S)-2-(4-bromobenzoyl)oxypropyl]-methylazanium Traditional Name: benzyl-[(2S)-2-(4-bromobenzoyl)oxypropyl]-methyl-ammonium Formula: C18H21BrNO2+ MolecularWeight: 363.26884

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+](C)CC1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

C[C@@H](C[NH+](C)CC1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C18H20BrNO2/c1-14(12-20(2)13-15-6-4-3-5-7-15)22-18(21)16-8-10-17(19)11-9-16/h3-11,14H,12-13H2,1-2H3/p+1/t14-/m0/s1