N-(6-nitro-1,3-benzothiazol-2-yl)-2-piperidin-1-ium-1-yl-ethanamide

Systemtic Name: N-(6-nitro-1,3-benzothiazol-2-yl)-2-piperidin-1-ium-1-yl-ethanamide Openeye Name: N-(6-nitro-1,3-benzothiazol-2-yl)-2-piperidin-1-ium-1-yl-acetamide CAS Name: N-(6-nitro-1,3-benzothiazol-2-yl)-2-(1-piperidin-1-iumyl)acetamide IUPAC Name: N-(6-nitro-1,3-benzothiazol-2-yl)-2-piperidin-1-ium-1-ylacetamide Traditional Name: N-(6-nitro-1,3-benzothiazol-2-yl)-2-piperidin-1-ium-1-yl-acetamide Formula: C14H17N4O3S+ MolecularWeight: 321.37478

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)CC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H16N4O3S/c19-13(9-17-6-2-1-3-7-17)16-14-15-11-5-4-10(18(20)21)8-12(11)22-14/h4-5,8H,1-3,6-7,9H2,(H,15,16,19)/p+1