3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]propanamide

Systemtic Name: 3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]propanamide Openeye Name: 3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide CAS Name: 3-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-1-iumyl]-N-[4-(2-oxo-1-pyrrolidinyl)phenyl]propanamide IUPAC Name: 3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide Traditional Name: 3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-[4-(2-ketopyrrolidino)phenyl]propionamide Formula: C25H30N5O2S+ MolecularWeight: 464.603

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC=C(C=C2)NC(=O)CC[NH+]3CCN(CC3)CC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=C(C=C2)NC(=O)CC[NH+]3CCN(CC3)CC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H29N5O2S/c31-23(26-19-7-9-20(10-8-19)30-12-3-6-25(30)32)11-13-28-14-16-29(17-15-28)18-24-27-21-4-1-2-5-22(21)33-24/h1-2,4-5,7-10H,3,6,11-18H2,(H,26,31)/p+1