N-[(3S)-5-bromanyl-1-(2-morpholin-4-ium-4-ylethyl)-2-oxidanylidene-3H-indol-3-yl]ethanamide

Systemtic Name: N-[(3S)-5-bromanyl-1-(2-morpholin-4-ium-4-ylethyl)-2-oxidanylidene-3H-indol-3-yl]ethanamide Openeye Name: N-[(3S)-5-bromo-1-(2-morpholin-4-ium-4-ylethyl)-2-oxo-indolin-3-yl]acetamide CAS Name: N-[(3S)-5-bromo-1-[2-(4-morpholin-4-iumyl)ethyl]-2-oxo-3H-indol-3-yl]acetamide IUPAC Name: N-[(3S)-5-bromo-1-(2-morpholin-4-ium-4-ylethyl)-2-oxo-3H-indol-3-yl]acetamide Traditional Name: N-[(3S)-5-bromo-2-keto-1-(2-morpholin-4-ium-4-ylethyl)indolin-3-yl]acetamide Formula: C16H21BrN3O3+ MolecularWeight: 383.26024

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C2=C(C=CC(=C2)Br)N(C1=O)CC[NH+]3CCOCC3

Isomeric SMILES

CC(=O)N[C@H]1C2=C(C=CC(=C2)Br)N(C1=O)CC[NH+]3CCOCC3

InChI

InChI=1S/C16H20BrN3O3/c1-11(21)18-15-13-10-12(17)2-3-14(13)20(16(15)22)5-4-19-6-8-23-9-7-19/h2-3,10,15H,4-9H2,1H3,(H,18,21)/p+1/t15-/m0/s1