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

Systemtic Name: 3-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[(2R)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidin-1-iumyl]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-1,2,3-benzotriazin-4-one Formula: C19H18N5OS+ MolecularWeight: 364.44412

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CN2C(=O)C3=CC=CC=C3N=N2)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C[C@@H]([NH+](C1)CN2C(=O)C3=CC=CC=C3N=N2)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C19H17N5OS/c25-19-13-6-1-2-7-14(13)21-22-24(19)12-23-11-5-9-16(23)18-20-15-8-3-4-10-17(15)26-18/h1-4,6-8,10,16H,5,9,11-12H2/p+1/t16-/m1/s1