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

Systemtic Name: 2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-N-(1,3-thiazol-2-yl)ethanamide Openeye Name: 2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-N-thiazol-2-yl-acetamide CAS Name: 2-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]-N-(2-thiazolyl)acetamide IUPAC Name: 2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-N-(1,3-thiazol-2-yl)acetamide Traditional Name: 2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-N-thiazol-2-yl-acetamide Formula: C15H18N5O3S+ MolecularWeight: 348.40012

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=NC=CS2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=NC=CS2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H17N5O3S/c21-14(17-15-16-5-10-24-15)11-18-6-8-19(9-7-18)12-1-3-13(4-2-12)20(22)23/h1-5,10H,6-9,11H2,(H,16,17,21)/p+1