2-(4-chloranyl-5-methyl-2-phenyl-4H-pyrazol-2-ium-3-yl)-N-methyl-benzamide; hydrogen sulfate

Systemtic Name: 2-(4-chloranyl-5-methyl-2-phenyl-4H-pyrazol-2-ium-3-yl)-N-methyl-benzamide; hydrogen sulfate Openeye Name: 2-(4-chloro-5-methyl-2-phenyl-4H-pyrazol-2-ium-3-yl)-N-methyl-benzamide; hydrogen sulfate CAS Name: 2-(4-chloro-5-methyl-2-phenyl-4H-pyrazol-2-ium-3-yl)-N-methylbenzamide; hydrogen sulfate IUPAC Name: 2-(4-chloro-5-methyl-2-phenyl-4H-pyrazol-2-ium-3-yl)-N-methylbenzamide; hydrogen sulfate Traditional Name: 2-(4-chloro-5-methyl-2-phenyl-4H-pyrazol-2-ium-3-yl)-N-methyl-benzamide bisulfate Formula: C18H18ClN3O5S MolecularWeight: 423.87062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=N[N+](=C(C1Cl)C2=CC=CC=C2C(=O)NC)C3=CC=CC=C3.OS(=O)(=O)[O-]

Isomeric SMILES

CC1=N[N+](=C(C1Cl)C2=CC=CC=C2C(=O)NC)C3=CC=CC=C3.OS(=O)(=O)[O-]

InChI

InChI=1S/C18H16ClN3O.H2O4S/c1-12-16(19)17(22(21-12)13-8-4-3-5-9-13)14-10-6-7-11-15(14)18(23)20-2;1-5(2,3)4/h3-11,16H,1-2H3;(H2,1,2,3,4)