[(1S)-1-(5-bromanyl-2-oxidanyl-phenyl)propyl]-(3-oxidanylidene-3-pyrrolidin-1-yl-propyl)azanium

Systemtic Name: [(1S)-1-(5-bromanyl-2-oxidanyl-phenyl)propyl]-(3-oxidanylidene-3-pyrrolidin-1-yl-propyl)azanium Openeye Name: [(1S)-1-(5-bromo-2-hydroxy-phenyl)propyl]-(3-oxo-3-pyrrolidin-1-yl-propyl)ammonium CAS Name: [(1S)-1-(5-bromo-2-hydroxyphenyl)propyl]-[3-oxo-3-(1-pyrrolidinyl)propyl]ammonium IUPAC Name: [(1S)-1-(5-bromo-2-hydroxyphenyl)propyl]-(3-oxo-3-pyrrolidin-1-ylpropyl)azanium Traditional Name: [(1S)-1-(5-bromo-2-hydroxy-phenyl)propyl]-(3-keto-3-pyrrolidino-propyl)ammonium Formula: C16H24BrN2O2+ MolecularWeight: 356.27796

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C=CC(=C1)Br)O)[NH2+]CCC(=O)N2CCCC2

Isomeric SMILES

CC[C@@H](C1=C(C=CC(=C1)Br)O)[NH2+]CCC(=O)N2CCCC2

InChI

InChI=1S/C16H23BrN2O2/c1-2-14(13-11-12(17)5-6-15(13)20)18-8-7-16(21)19-9-3-4-10-19/h5-6,11,14,18,20H,2-4,7-10H2,1H3/p+1/t14-/m0/s1