2-[2-(2-ethyl-1-oxidanidyl-pyridin-1-ium-4-yl)-4-methyl-1,3-thiazol-5-yl]ethyl nitrate

Systemtic Name: 2-[2-(2-ethyl-1-oxidanidyl-pyridin-1-ium-4-yl)-4-methyl-1,3-thiazol-5-yl]ethyl nitrate Openeye Name: 2-[2-(2-ethyl-1-oxido-pyridin-1-ium-4-yl)-4-methyl-thiazol-5-yl]ethyl nitrate CAS Name: nitric acid 2-[2-(2-ethyl-1-oxido-4-pyridin-1-iumyl)-4-methyl-5-thiazolyl]ethyl ester IUPAC Name: 2-[2-(2-ethyl-1-oxidopyridin-1-ium-4-yl)-4-methyl-1,3-thiazol-5-yl]ethyl nitrate Traditional Name: nitric acid 2-[2-(2-ethyl-1-oxido-pyridin-1-ium-4-yl)-4-methyl-thiazol-5-yl]ethyl ester Formula: C13H15N3O4S MolecularWeight: 309.3409

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=[N+](C=CC(=C1)C2=NC(=C(S2)CCO[N+](=O)[O-])C)[O-]

Isomeric SMILES

CCC1=[N+](C=CC(=C1)C2=NC(=C(S2)CCO[N+](=O)[O-])C)[O-]

InChI

InChI=1S/C13H15N3O4S/c1-3-11-8-10(4-6-15(11)17)13-14-9(2)12(21-13)5-7-20-16(18)19/h4,6,8H,3,5,7H2,1-2H3