4-[2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]ethanoyl]-1,3-dihydroquinoxalin-2-one

Systemtic Name: 4-[2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]ethanoyl]-1,3-dihydroquinoxalin-2-one Openeye Name: 4-[2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one CAS Name: 4-[2-[(2R)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidin-1-iumyl]-1-oxoethyl]-1,3-dihydroquinoxalin-2-one IUPAC Name: 4-[2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one Traditional Name: 4-[2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one Formula: C21H21N4O2S+ MolecularWeight: 393.48204

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC(=O)N2CC(=O)NC3=CC=CC=C32)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C[C@@H]([NH+](C1)CC(=O)N2CC(=O)NC3=CC=CC=C32)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C21H20N4O2S/c26-19-12-25(16-8-3-1-6-14(16)22-19)20(27)13-24-11-5-9-17(24)21-23-15-7-2-4-10-18(15)28-21/h1-4,6-8,10,17H,5,9,11-13H2,(H,22,26)/p+1/t17-/m1/s1