3-[(3S)-8-bromanyl-2-oxidanylidene-3,4-dihydro-1H-quinolin-3-yl]propylazanium

Systemtic Name: 3-[(3S)-8-bromanyl-2-oxidanylidene-3,4-dihydro-1H-quinolin-3-yl]propylazanium Openeye Name: 3-[(3S)-8-bromo-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propylammonium CAS Name: 3-[(3S)-8-bromo-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propylammonium IUPAC Name: 3-[(3S)-8-bromo-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propylazanium Traditional Name: 3-[(3S)-8-bromo-2-keto-3,4-dihydro-1H-quinolin-3-yl]propylammonium Formula: C12H16BrN2O+ MolecularWeight: 284.17224

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)NC2=C1C=CC=C2Br)CCC[NH3+]

Isomeric SMILES

C1[C@@H](C(=O)NC2=C1C=CC=C2Br)CCC[NH3+]

InChI

InChI=1S/C12H15BrN2O/c13-10-5-1-3-8-7-9(4-2-6-14)12(16)15-11(8)10/h1,3,5,9H,2,4,6-7,14H2,(H,15,16)/p+1/t9-/m0/s1