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

Systemtic Name: [(1S)-1-(5-bromanyl-2-oxidanyl-phenyl)propyl]-[2-(2-methylpropanoylamino)ethyl]azanium Openeye Name: [(1S)-1-(5-bromo-2-hydroxy-phenyl)propyl]-[2-(2-methylpropanoylamino)ethyl]ammonium CAS Name: [(1S)-1-(5-bromo-2-hydroxyphenyl)propyl]-[2-[(2-methyl-1-oxopropyl)amino]ethyl]ammonium IUPAC Name: [(1S)-1-(5-bromo-2-hydroxyphenyl)propyl]-[2-(2-methylpropanoylamino)ethyl]azanium Traditional Name: [(1S)-1-(5-bromo-2-hydroxy-phenyl)propyl]-[2-(isobutyrylamino)ethyl]ammonium Formula: C15H24BrN2O2+ MolecularWeight: 344.26726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23BrN2O2/c1-4-13(12-9-11(16)5-6-14(12)19)17-7-8-18-15(20)10(2)3/h5-6,9-10,13,17,19H,4,7-8H2,1-3H3,(H,18,20)/p+1/t13-/m0/s1