2-[[(2S)-2-phenylpyrrolidin-1-ium-1-yl]methyl]-1H-imidazo[1,5-a]pyridin-4-ium-3-thione

Systemtic Name: 2-[[(2S)-2-phenylpyrrolidin-1-ium-1-yl]methyl]-1H-imidazo[1,5-a]pyridin-4-ium-3-thione Openeye Name: 2-[[(2S)-2-phenylpyrrolidin-1-ium-1-yl]methyl]-1H-imidazo[1,5-a]pyridin-4-ium-3-thione CAS Name: 2-[[(2S)-2-phenyl-1-pyrrolidin-1-iumyl]methyl]-1H-imidazo[1,5-a]pyridin-4-ium-3-thione IUPAC Name: 2-[[(2S)-2-phenylpyrrolidin-1-ium-1-yl]methyl]-1H-imidazo[1,5-a]pyridin-4-ium-3-thione Traditional Name: 2-[[(2S)-2-phenylpyrrolidin-1-ium-1-yl]methyl]-1H-imidazo[1,5-a]pyridin-4-ium-3-thione Formula: C18H21N3S+2 MolecularWeight: 311.44444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CN2CC3=CC=CC=[N+]3C2=S)C4=CC=CC=C4

Isomeric SMILES

C1C[C@H]([NH+](C1)CN2CC3=CC=CC=[N+]3C2=S)C4=CC=CC=C4

InChI

InChI=1S/C18H20N3S/c22-18-20(13-16-9-4-5-12-21(16)18)14-19-11-6-10-17(19)15-7-2-1-3-8-15/h1-5,7-9,12,17H,6,10-11,13-14H2/q+1/p+1/t17-/m0/s1