2-(4-aminocarbonylpiperidin-1-ium-1-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)ethanimidate

Systemtic Name: 2-(4-aminocarbonylpiperidin-1-ium-1-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)ethanimidate Openeye Name: 2-(4-carbamoylpiperidin-1-ium-1-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)ethanimidate CAS Name: 2-(4-carbamoyl-1-piperidin-1-iumyl)-N-(6-nitro-1,3-benzothiazol-2-yl)ethanimidate IUPAC Name: 2-(4-carbamoylpiperidin-1-ium-1-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)ethanimidate Traditional Name: 2-(4-carbamoylpiperidin-1-ium-1-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)acetimidate Formula: C15H17N5O4S MolecularWeight: 363.39158

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)N)CC(=NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

C1C[NH+](CCC1C(=O)N)CC(=NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C15H17N5O4S/c16-14(22)9-3-5-19(6-4-9)8-13(21)18-15-17-11-2-1-10(20(23)24)7-12(11)25-15/h1-2,7,9H,3-6,8H2,(H2,16,22)(H,17,18,21)