[(1S)-1-(5-bromanyl-2-oxidanyl-phenyl)propyl]-(3-phenylpropyl)azanium

Systemtic Name: [(1S)-1-(5-bromanyl-2-oxidanyl-phenyl)propyl]-(3-phenylpropyl)azanium Openeye Name: [(1S)-1-(5-bromo-2-hydroxy-phenyl)propyl]-(3-phenylpropyl)ammonium CAS Name: [(1S)-1-(5-bromo-2-hydroxyphenyl)propyl]-(3-phenylpropyl)ammonium IUPAC Name: [(1S)-1-(5-bromo-2-hydroxyphenyl)propyl]-(3-phenylpropyl)azanium Traditional Name: [(1S)-1-(5-bromo-2-hydroxy-phenyl)propyl]-(3-phenylpropyl)ammonium Formula: C18H23BrNO+ MolecularWeight: 349.28532

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C=CC(=C1)Br)O)[NH2+]CCCC2=CC=CC=C2

Isomeric SMILES

CC[C@@H](C1=C(C=CC(=C1)Br)O)[NH2+]CCCC2=CC=CC=C2

InChI

InChI=1S/C18H22BrNO/c1-2-17(16-13-15(19)10-11-18(16)21)20-12-6-9-14-7-4-3-5-8-14/h3-5,7-8,10-11,13,17,20-21H,2,6,9,12H2,1H3/p+1/t17-/m0/s1