[(3S)-5-bromanyl-2-oxidanylidene-1,3-dihydroindol-3-yl]-(3-phenylpropyl)azanium

Systemtic Name: [(3S)-5-bromanyl-2-oxidanylidene-1,3-dihydroindol-3-yl]-(3-phenylpropyl)azanium Openeye Name: [(3S)-5-bromo-2-oxo-indolin-3-yl]-(3-phenylpropyl)ammonium CAS Name: [(3S)-5-bromo-2-oxo-1,3-dihydroindol-3-yl]-(3-phenylpropyl)ammonium IUPAC Name: [(3S)-5-bromo-2-oxo-1,3-dihydroindol-3-yl]-(3-phenylpropyl)azanium Traditional Name: [(3S)-5-bromo-2-keto-indolin-3-yl]-(3-phenylpropyl)ammonium Formula: C17H18BrN2O+ MolecularWeight: 346.24162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC[NH2+]C2C3=C(C=CC(=C3)Br)NC2=O

Isomeric SMILES

C1=CC=C(C=C1)CCC[NH2+][C@H]2C3=C(C=CC(=C3)Br)NC2=O

InChI

InChI=1S/C17H17BrN2O/c18-13-8-9-15-14(11-13)16(17(21)20-15)19-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11,16,19H,4,7,10H2,(H,20,21)/p+1/t16-/m0/s1