[(3S)-6-bromanyl-2-oxidanylidene-1,3-dihydroindol-3-yl]-(3-imidazol-1-ylpropyl)azanium

Systemtic Name: [(3S)-6-bromanyl-2-oxidanylidene-1,3-dihydroindol-3-yl]-(3-imidazol-1-ylpropyl)azanium Openeye Name: [(3S)-6-bromo-2-oxo-indolin-3-yl]-(3-imidazol-1-ylpropyl)ammonium CAS Name: [(3S)-6-bromo-2-oxo-1,3-dihydroindol-3-yl]-[3-(1-imidazolyl)propyl]ammonium IUPAC Name: [(3S)-6-bromo-2-oxo-1,3-dihydroindol-3-yl]-(3-imidazol-1-ylpropyl)azanium Traditional Name: [(3S)-6-bromo-2-keto-indolin-3-yl]-(3-imidazol-1-ylpropyl)ammonium Formula: C14H16BrN4O+ MolecularWeight: 336.20704

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Br)NC(=O)C2[NH2+]CCCN3C=CN=C3

Isomeric SMILES

C1=CC2=C(C=C1Br)NC(=O)[C@H]2[NH2+]CCCN3C=CN=C3

InChI

InChI=1S/C14H15BrN4O/c15-10-2-3-11-12(8-10)18-14(20)13(11)17-4-1-6-19-7-5-16-9-19/h2-3,5,7-9,13,17H,1,4,6H2,(H,18,20)/p+1/t13-/m0/s1