3-(1,3-benzothiazol-2-yl)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]propanamide

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]propanamide Openeye Name: 3-(1,3-benzothiazol-2-yl)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)thiazol-2-yl]propanamide CAS Name: 3-(1,3-benzothiazol-2-yl)-N-[4-(1-pyrrolidin-1-iumylmethyl)-2-thiazolyl]propanamide IUPAC Name: 3-(1,3-benzothiazol-2-yl)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]propanamide Traditional Name: 3-(1,3-benzothiazol-2-yl)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)thiazol-2-yl]propionamide Formula: C18H21N4OS2+ MolecularWeight: 373.51554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CSC(=N2)NC(=O)CCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CC[NH+](C1)CC2=CSC(=N2)NC(=O)CCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H20N4OS2/c23-16(7-8-17-20-14-5-1-2-6-15(14)25-17)21-18-19-13(12-24-18)11-22-9-3-4-10-22/h1-2,5-6,12H,3-4,7-11H2,(H,19,21,23)/p+1