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

Systemtic Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]ethanamide Openeye Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]acetamide CAS Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-1-iumyl]-N-[4-(1-pyrrolidin-1-iumylmethyl)phenyl]acetamide IUPAC Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]acetamide Traditional Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]acetamide Formula: C25H33N5OS+2 MolecularWeight: 451.62742

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)NC(=O)C[NH+]3CCN(CC3)CC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)NC(=O)C[NH+]3CCN(CC3)CC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H31N5OS/c31-24(26-21-9-7-20(8-10-21)17-28-11-3-4-12-28)18-29-13-15-30(16-14-29)19-25-27-22-5-1-2-6-23(22)32-25/h1-2,5-10H,3-4,11-19H2,(H,26,31)/p+2