2-[(3-bromophenyl)methylazaniumyl]-3-methyl-pentanoate

Systemtic Name: 2-[(3-bromophenyl)methylazaniumyl]-3-methyl-pentanoate Openeye Name: 2-[(3-bromophenyl)methylammonio]-3-methyl-pentanoate CAS Name: 2-[(3-bromophenyl)methylammonio]-3-methylpentanoate IUPAC Name: 2-[(3-bromophenyl)methylazaniumyl]-3-methylpentanoate Traditional Name: 2-[(3-bromobenzyl)ammonio]-3-methyl-valerate Formula: C13H18BrNO2 MolecularWeight: 300.19152

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)[O-])[NH2+]CC1=CC(=CC=C1)Br

Isomeric SMILES

CCC(C)C(C(=O)[O-])[NH2+]CC1=CC(=CC=C1)Br

InChI

InChI=1S/C13H18BrNO2/c1-3-9(2)12(13(16)17)15-8-10-5-4-6-11(14)7-10/h4-7,9,12,15H,3,8H2,1-2H3,(H,16,17)