2-[[3-(4-bromophenyl)-3-oxidanyl-propyl]azaniumyl]-3-methyl-butanoate

Systemtic Name: 2-[[3-(4-bromophenyl)-3-oxidanyl-propyl]azaniumyl]-3-methyl-butanoate Openeye Name: 2-[[3-(4-bromophenyl)-3-hydroxy-propyl]ammonio]-3-methyl-butanoate CAS Name: 2-[[3-(4-bromophenyl)-3-hydroxypropyl]ammonio]-3-methylbutanoate IUPAC Name: 2-[[3-(4-bromophenyl)-3-hydroxypropyl]azaniumyl]-3-methylbutanoate Traditional Name: 2-[[3-(4-bromophenyl)-3-hydroxy-propyl]ammonio]-3-methyl-butyrate Formula: C14H20BrNO3 MolecularWeight: 330.2175

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20BrNO3/c1-9(2)13(14(18)19)16-8-7-12(17)10-3-5-11(15)6-4-10/h3-6,9,12-13,16-17H,7-8H2,1-2H3,(H,18,19)