phenyl-(3,4,5-trimethyl-1,3-thiazol-3-ium-2-yl)methanol nitrate

Systemtic Name: phenyl-(3,4,5-trimethyl-1,3-thiazol-3-ium-2-yl)methanol nitrate Openeye Name: phenyl-(3,4,5-trimethylthiazol-3-ium-2-yl)methanol nitrate CAS Name: phenyl-(3,4,5-trimethyl-2-thiazol-3-iumyl)methanol nitrate IUPAC Name: phenyl-(3,4,5-trimethyl-1,3-thiazol-3-ium-2-yl)methanol nitrate Traditional Name: phenyl-(3,4,5-trimethylthiazol-3-ium-2-yl)methanol nitrate Formula: C13H16N2O4S MolecularWeight: 297.334795

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=[N+]1C)C(C2=CC=CC=C2)O)C.[N+](=O)([O-])[O-]

Isomeric SMILES

CC1=C(S[13C](=[N+]1C)C(C2=CC=CC=C2)O)C.[N+](=O)([O-])[O-]

InChI

InChI=1S/C13H16NOS.NO3/c1-9-10(2)16-13(14(9)3)12(15)11-7-5-4-6-8-11;2-1(3)4/h4-8,12,15H,1-3H3;/q+1;-1/i13+1;