2-acetamidoethyl-[(1S)-1-(5-bromanyl-2-oxidanyl-phenyl)propyl]azanium

Systemtic Name: 2-acetamidoethyl-[(1S)-1-(5-bromanyl-2-oxidanyl-phenyl)propyl]azanium Openeye Name: 2-acetamidoethyl-[(1S)-1-(5-bromo-2-hydroxy-phenyl)propyl]ammonium CAS Name: 2-acetamidoethyl-[(1S)-1-(5-bromo-2-hydroxyphenyl)propyl]ammonium IUPAC Name: 2-acetamidoethyl-[(1S)-1-(5-bromo-2-hydroxyphenyl)propyl]azanium Traditional Name: 2-acetamidoethyl-[(1S)-1-(5-bromo-2-hydroxy-phenyl)propyl]ammonium Formula: C13H20BrN2O2+ MolecularWeight: 316.2141

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@@H](C1=C(C=CC(=C1)Br)O)[NH2+]CCNC(=O)C

InChI

InChI=1S/C13H19BrN2O2/c1-3-12(16-7-6-15-9(2)17)11-8-10(14)4-5-13(11)18/h4-5,8,12,16,18H,3,6-7H2,1-2H3,(H,15,17)/p+1/t12-/m0/s1