(3R)-5-bromanyl-1-(morpholin-4-ium-4-ylmethyl)-3-oxidanyl-3-(2-oxidanylidenepropyl)indol-2-one

Systemtic Name: (3R)-5-bromanyl-1-(morpholin-4-ium-4-ylmethyl)-3-oxidanyl-3-(2-oxidanylidenepropyl)indol-2-one Openeye Name: (3R)-3-acetonyl-5-bromo-3-hydroxy-1-(morpholin-4-ium-4-ylmethyl)indolin-2-one CAS Name: (3R)-5-bromo-3-hydroxy-1-(4-morpholin-4-iumylmethyl)-3-(2-oxopropyl)-2-indolone IUPAC Name: (3R)-5-bromo-3-hydroxy-1-(morpholin-4-ium-4-ylmethyl)-3-(2-oxopropyl)indol-2-one Traditional Name: (3R)-3-acetonyl-5-bromo-3-hydroxy-1-(morpholin-4-ium-4-ylmethyl)oxindole Formula: C16H20BrN2O4+ MolecularWeight: 384.245

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1(C2=C(C=CC(=C2)Br)N(C1=O)C[NH+]3CCOCC3)O

Isomeric SMILES

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

InChI

InChI=1S/C16H19BrN2O4/c1-11(20)9-16(22)13-8-12(17)2-3-14(13)19(15(16)21)10-18-4-6-23-7-5-18/h2-3,8,22H,4-7,9-10H2,1H3/p+1/t16-/m1/s1