N-(6-azanyl-1,3-benzothiazol-2-yl)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(6-azanyl-1,3-benzothiazol-2-yl)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(6-amino-1,3-benzothiazol-2-yl)-2-(3-oxopiperazin-1-ium-1-yl)acetamide CAS Name: N-(6-amino-1,3-benzothiazol-2-yl)-2-(3-oxo-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(6-amino-1,3-benzothiazol-2-yl)-2-(3-oxopiperazin-1-ium-1-yl)acetamide Traditional Name: N-(6-amino-1,3-benzothiazol-2-yl)-2-(3-ketopiperazin-1-ium-1-yl)acetamide Formula: C13H16N5O2S+ MolecularWeight: 306.36344

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC(=O)N1)CC(=O)NC2=NC3=C(S2)C=C(C=C3)N

Isomeric SMILES

C1C[NH+](CC(=O)N1)CC(=O)NC2=NC3=C(S2)C=C(C=C3)N

InChI

InChI=1S/C13H15N5O2S/c14-8-1-2-9-10(5-8)21-13(16-9)17-12(20)7-18-4-3-15-11(19)6-18/h1-2,5H,3-4,6-7,14H2,(H,15,19)(H,16,17,20)/p+1