N-[2-chloranyl-4-(5-methyl-1H-1,2,4-triazol-2-ium-2-yl)phenyl]ethanamide; methyl sulfate

Systemtic Name: N-[2-chloranyl-4-(5-methyl-1H-1,2,4-triazol-2-ium-2-yl)phenyl]ethanamide; methyl sulfate Openeye Name: N-[2-chloro-4-(5-methyl-1H-1,2,4-triazol-2-ium-2-yl)phenyl]acetamide; methyl sulfate CAS Name: N-[2-chloro-4-(5-methyl-1H-1,2,4-triazol-2-ium-2-yl)phenyl]acetamide; methyl sulfate IUPAC Name: N-[2-chloro-4-(5-methyl-1H-1,2,4-triazol-2-ium-2-yl)phenyl]acetamide; methyl sulfate Traditional Name: N-[2-chloro-4-(5-methyl-1H-1,2,4-triazol-2-ium-2-yl)phenyl]acetamide; methyl sulfate Formula: C12H15ClN4O5S MolecularWeight: 362.7893

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=[N+](N1)C2=CC(=C(C=C2)NC(=O)C)Cl.COS(=O)(=O)[O-]

Isomeric SMILES

CC1=NC=[N+](N1)C2=CC(=C(C=C2)NC(=O)C)Cl.COS(=O)(=O)[O-]

InChI

InChI=1S/C11H11ClN4O.CH4O4S/c1-7-13-6-16(15-7)9-3-4-11(10(12)5-9)14-8(2)17;1-5-6(2,3)4/h3-6H,1-2H3,(H,14,17);1H3,(H,2,3,4)