(3R)-1-(5-nitropyridin-1-ium-2-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide

Systemtic Name: (3R)-1-(5-nitropyridin-1-ium-2-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide Openeye Name: (3R)-1-(5-nitropyridin-1-ium-2-yl)-N-thiazol-2-yl-piperidine-3-carboxamide CAS Name: (3R)-1-(5-nitro-2-pyridin-1-iumyl)-N-(2-thiazolyl)-3-piperidinecarboxamide IUPAC Name: (3R)-1-(5-nitropyridin-1-ium-2-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide Traditional Name: (3R)-1-(5-nitropyridin-1-ium-2-yl)-N-thiazol-2-yl-nipecotamide Formula: C14H16N5O3S+ MolecularWeight: 334.37354

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=[NH+]C=C(C=C2)[N+](=O)[O-])C(=O)NC3=NC=CS3

Isomeric SMILES

C1C[C@H](CN(C1)C2=[NH+]C=C(C=C2)[N+](=O)[O-])C(=O)NC3=NC=CS3

InChI

InChI=1S/C14H15N5O3S/c20-13(17-14-15-5-7-23-14)10-2-1-6-18(9-10)12-4-3-11(8-16-12)19(21)22/h3-5,7-8,10H,1-2,6,9H2,(H,15,17,20)/p+1/t10-/m1/s1