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

Systemtic Name: [(3S)-6-bromanyl-2-oxidanylidene-1,3-dihydroindol-3-yl]-[2-(2-methylpropanoylamino)ethyl]azanium Openeye Name: [(3S)-6-bromo-2-oxo-indolin-3-yl]-[2-(2-methylpropanoylamino)ethyl]ammonium CAS Name: [(3S)-6-bromo-2-oxo-1,3-dihydroindol-3-yl]-[2-[(2-methyl-1-oxopropyl)amino]ethyl]ammonium IUPAC Name: [(3S)-6-bromo-2-oxo-1,3-dihydroindol-3-yl]-[2-(2-methylpropanoylamino)ethyl]azanium Traditional Name: [(3S)-6-bromo-2-keto-indolin-3-yl]-[2-(isobutyrylamino)ethyl]ammonium Formula: C14H19BrN3O2+ MolecularWeight: 341.22356

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NCC[NH2+]C1C2=C(C=C(C=C2)Br)NC1=O

Isomeric SMILES

CC(C)C(=O)NCC[NH2+][C@H]1C2=C(C=C(C=C2)Br)NC1=O

InChI

InChI=1S/C14H18BrN3O2/c1-8(2)13(19)17-6-5-16-12-10-4-3-9(15)7-11(10)18-14(12)20/h3-4,7-8,12,16H,5-6H2,1-2H3,(H,17,19)(H,18,20)/p+1/t12-/m0/s1