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

Systemtic Name: 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]-N-(4-nitrophenyl)ethanamide Openeye Name: 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]-N-(4-nitrophenyl)acetamide CAS Name: 2-[4-(1,3-benzothiazol-2-yl)-1-piperazin-1-iumyl]-N-(4-nitrophenyl)acetamide IUPAC Name: 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]-N-(4-nitrophenyl)acetamide Traditional Name: 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]-N-(4-nitrophenyl)acetamide Formula: C19H20N5O3S+ MolecularWeight: 398.4588

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H19N5O3S/c25-18(20-14-5-7-15(8-6-14)24(26)27)13-22-9-11-23(12-10-22)19-21-16-3-1-2-4-17(16)28-19/h1-8H,9-13H2,(H,20,25)/p+1