6-nitro-1-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]indazole

Systemtic Name: 6-nitro-1-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]indazole Openeye Name: 6-nitro-1-[[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]indazole CAS Name: 6-nitro-1-[[(2R)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]methyl]indazole IUPAC Name: 6-nitro-1-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]indazole Traditional Name: 6-nitro-1-[[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]indazole Formula: C16H17N4O2S+ MolecularWeight: 329.39678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CN2C3=C(C=CC(=C3)[N+](=O)[O-])C=N2)C4=CC=CS4

Isomeric SMILES

C1C[C@@H]([NH+](C1)CN2C3=C(C=CC(=C3)[N+](=O)[O-])C=N2)C4=CC=CS4

InChI

InChI=1S/C16H16N4O2S/c21-20(22)13-6-5-12-10-17-19(15(12)9-13)11-18-7-1-3-14(18)16-4-2-8-23-16/h2,4-6,8-10,14H,1,3,7,11H2/p+1/t14-/m1/s1