4-[[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole

Systemtic Name: 4-[[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole Openeye Name: 4-[[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-5-methyl-2-(2-thienyl)oxazole CAS Name: 4-[[(2S)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidin-1-iumyl]methyl]-5-methyl-2-thiophen-2-yloxazole IUPAC Name: 4-[[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole Traditional Name: 4-[[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-5-methyl-2-(2-thienyl)oxazole Formula: C20H20N3OS2+ MolecularWeight: 382.5223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=CS2)C[NH+]3CCCC3C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=CS2)C[NH+]3CCC[C@H]3C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C20H19N3OS2/c1-13-15(21-19(24-13)18-9-5-11-25-18)12-23-10-4-7-16(23)20-22-14-6-2-3-8-17(14)26-20/h2-3,5-6,8-9,11,16H,4,7,10,12H2,1H3/p+1/t16-/m0/s1