2-[[3-(4-bromophenyl)-3-oxidanylidene-propyl]azaniumyl]-3-methyl-pentanoate

Systemtic Name: 2-[[3-(4-bromophenyl)-3-oxidanylidene-propyl]azaniumyl]-3-methyl-pentanoate Openeye Name: 2-[[3-(4-bromophenyl)-3-oxo-propyl]ammonio]-3-methyl-pentanoate CAS Name: 2-[[3-(4-bromophenyl)-3-oxopropyl]ammonio]-3-methylpentanoate IUPAC Name: 2-[[3-(4-bromophenyl)-3-oxopropyl]azaniumyl]-3-methylpentanoate Traditional Name: 2-[[3-(4-bromophenyl)-3-keto-propyl]ammonio]-3-methyl-valerate Formula: C15H20BrNO3 MolecularWeight: 342.2282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20BrNO3/c1-3-10(2)14(15(19)20)17-9-8-13(18)11-4-6-12(16)7-5-11/h4-7,10,14,17H,3,8-9H2,1-2H3,(H,19,20)