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

Systemtic Name: 3-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[(2R)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]-1,2,3-benzotriazin-4-one Formula: C16H17N4OS+ MolecularWeight: 313.39738

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CN2C(=O)C3=CC=CC=C3N=N2)C4=CC=CS4

Isomeric SMILES

C1C[C@@H]([NH+](C1)CN2C(=O)C3=CC=CC=C3N=N2)C4=CC=CS4

InChI

InChI=1S/C16H16N4OS/c21-16-12-5-1-2-6-13(12)17-18-20(16)11-19-9-3-7-14(19)15-8-4-10-22-15/h1-2,4-6,8,10,14H,3,7,9,11H2/p+1/t14-/m1/s1