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

Systemtic Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-(4-morpholin-4-ylphenyl)ethanamide Openeye Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-(4-morpholinophenyl)acetamide CAS Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-1-iumyl]-N-[4-(4-morpholinyl)phenyl]acetamide IUPAC Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide Traditional Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-(4-morpholinophenyl)acetamide Formula: C24H30N5O2S+ MolecularWeight: 452.5923

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)N3CCOCC3)CC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)N3CCOCC3)CC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C24H29N5O2S/c30-23(25-19-5-7-20(8-6-19)29-13-15-31-16-14-29)17-27-9-11-28(12-10-27)18-24-26-21-3-1-2-4-22(21)32-24/h1-8H,9-18H2,(H,25,30)/p+1