5-(4-chloranyl-2-methyl-1H-pyrazol-2-ium-5-yl)-N-(3-ethoxypropyl)-1,3,4-thiadiazol-2-amine; hydrogen sulfate

Systemtic Name: 5-(4-chloranyl-2-methyl-1H-pyrazol-2-ium-5-yl)-N-(3-ethoxypropyl)-1,3,4-thiadiazol-2-amine; hydrogen sulfate Openeye Name: 5-(4-chloro-2-methyl-1H-pyrazol-2-ium-5-yl)-N-(3-ethoxypropyl)-1,3,4-thiadiazol-2-amine; hydrogen sulfate CAS Name: 5-(4-chloro-2-methyl-1H-pyrazol-2-ium-5-yl)-N-(3-ethoxypropyl)-1,3,4-thiadiazol-2-amine; hydrogen sulfate IUPAC Name: 5-(4-chloro-2-methyl-1H-pyrazol-2-ium-5-yl)-N-(3-ethoxypropyl)-1,3,4-thiadiazol-2-amine; hydrogen sulfate Traditional Name: [5-(4-chloro-2-methyl-1H-pyrazol-2-ium-5-yl)-1,3,4-thiadiazol-2-yl]-(3-ethoxypropyl)amine bisulfate Formula: C11H18ClN5O5S2 MolecularWeight: 399.87412

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC1=NN=C(S1)C2=C(C=[N+](N2)C)Cl.OS(=O)(=O)[O-]

Isomeric SMILES

CCOCCCNC1=NN=C(S1)C2=C(C=[N+](N2)C)Cl.OS(=O)(=O)[O-]

InChI

InChI=1S/C11H16ClN5OS.H2O4S/c1-3-18-6-4-5-13-11-15-14-10(19-11)9-8(12)7-17(2)16-9;1-5(2,3)4/h7H,3-6H2,1-2H3,(H,13,15,16);(H2,1,2,3,4)