1-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]cinnolin-4-one

Systemtic Name: 1-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]cinnolin-4-one Openeye Name: 1-[[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]cinnolin-4-one CAS Name: 1-[[(2R)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]methyl]-4-cinnolinone IUPAC Name: 1-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]cinnolin-4-one Traditional Name: 1-[[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]cinnolin-4-one Formula: C17H18N3OS+ MolecularWeight: 312.40932

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CN2C3=CC=CC=C3C(=O)C=N2)C4=CC=CS4

Isomeric SMILES

C1C[C@@H]([NH+](C1)CN2C3=CC=CC=C3C(=O)C=N2)C4=CC=CS4

InChI

InChI=1S/C17H17N3OS/c21-16-11-18-20(14-6-2-1-5-13(14)16)12-19-9-3-7-15(19)17-8-4-10-22-17/h1-2,4-6,8,10-11,15H,3,7,9,12H2/p+1/t15-/m1/s1