2-acetyloxybenzoate; (2-bromophenyl)methyl-ethyl-dimethyl-azanium

Systemtic Name: 2-acetyloxybenzoate; (2-bromophenyl)methyl-ethyl-dimethyl-azanium Openeye Name: 2-acetoxybenzoate; (2-bromophenyl)methyl-ethyl-dimethyl-ammonium CAS Name: 2-acetyloxybenzoate; (2-bromophenyl)methyl-ethyl-dimethylammonium IUPAC Name: 2-acetyloxybenzoate; (2-bromophenyl)methyl-ethyl-dimethylazanium Traditional Name: 2-acetoxybenzoate; (2-bromobenzyl)-ethyl-dimethyl-ammonium Formula: C20H24BrNO4 MolecularWeight: 422.31286

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(C)CC1=CC=CC=C1Br.CC(=O)OC1=CC=CC=C1C(=O)[O-]

Isomeric SMILES

CC[N+](C)(C)CC1=CC=CC=C1Br.CC(=O)OC1=CC=CC=C1C(=O)[O-]

InChI

InChI=1S/C11H17BrN.C9H8O4/c1-4-13(2,3)9-10-7-5-6-8-11(10)12;1-6(10)13-8-5-3-2-4-7(8)9(11)12/h5-8H,4,9H2,1-3H3;2-5H,1H3,(H,11,12)/q+1;/p-1