2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]ethanamide

Systemtic Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]ethanamide Openeye Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide CAS Name: 2-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-N-[3-(2-oxo-1-pyrrolidinyl)propyl]acetamide IUPAC Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide Traditional Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-[3-(2-ketopyrrolidino)propyl]acetamide Formula: C21H29N4O2S+ MolecularWeight: 401.54556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)CCCNC(=O)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CC(=O)N(C1)CCCNC(=O)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H28N4O2S/c26-19(22-10-4-12-25-11-3-7-20(25)27)15-24-13-8-16(9-14-24)21-23-17-5-1-2-6-18(17)28-21/h1-2,5-6,16H,3-4,7-15H2,(H,22,26)/p+1