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

Systemtic Name: [(3S)-6-bromanyl-2-oxidanylidene-1,3-dihydroindol-3-yl]-(3-piperidin-1-ium-1-ylpropyl)azanium Openeye Name: [(3S)-6-bromo-2-oxo-indolin-3-yl]-(3-piperidin-1-ium-1-ylpropyl)ammonium CAS Name: [(3S)-6-bromo-2-oxo-1,3-dihydroindol-3-yl]-[3-(1-piperidin-1-iumyl)propyl]ammonium IUPAC Name: [(3S)-6-bromo-2-oxo-1,3-dihydroindol-3-yl]-(3-piperidin-1-ium-1-ylpropyl)azanium Traditional Name: [(3S)-6-bromo-2-keto-indolin-3-yl]-(3-piperidin-1-ium-1-ylpropyl)ammonium Formula: C16H24BrN3O+2 MolecularWeight: 354.28526

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCC[NH2+]C2C3=C(C=C(C=C3)Br)NC2=O

Isomeric SMILES

C1CC[NH+](CC1)CCC[NH2+][C@H]2C3=C(C=C(C=C3)Br)NC2=O

InChI

InChI=1S/C16H22BrN3O/c17-12-5-6-13-14(11-12)19-16(21)15(13)18-7-4-10-20-8-2-1-3-9-20/h5-6,11,15,18H,1-4,7-10H2,(H,19,21)/p+2/t15-/m0/s1