5-bromanyl-2-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one

Systemtic Name: 5-bromanyl-2-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one Openeye Name: 5-bromo-2-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1,1-dioxo-1,2-benzothiazol-3-one CAS Name: 5-bromo-2-[(2S)-2-(2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-1,1-dioxo-1,2-benzothiazol-3-one IUPAC Name: 5-bromo-2-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-1,1-dioxo-1,2-benzothiazol-3-one Traditional Name: 5-bromo-2-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1,1-diketo-1,2-benzothiazol-3-one Formula: C17H18BrN2O4S+ MolecularWeight: 426.30482

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CN2C(=O)C3=C(S2(=O)=O)C=CC(=C3)Br)C4=CC=CO4

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CN2C(=O)C3=C(S2(=O)=O)C=CC(=C3)Br)C4=CC=CO4

InChI

InChI=1S/C17H17BrN2O4S/c18-12-5-6-16-13(10-12)17(21)20(25(16,22)23)11-14(15-4-3-9-24-15)19-7-1-2-8-19/h3-6,9-10,14H,1-2,7-8,11H2/p+1/t14-/m0/s1